3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide

C101H96Cl4N38O6 — CID 159976068

About 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide

3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide (PubChem CID 159976068) has the molecular formula C101H96Cl4N38O6 and a molecular weight of 2079.95 g/mol. Its IUPAC name is 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide
• PubChem CID: 159976068
• Molecular Formula: C101H96Cl4N38O6
• Molecular Weight: 2079.95 g/mol
• Exact Mass: 2076.71
• IUPAC Name: 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1nc(-c2ccc(CN)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CC[C@H](O)C3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccccc2)cnc1N)c1nnc2ccc(Cl)nn12
• InChI: InChI=1S/2C29H29ClN10O2.C25H23ClN10O.C18H15ClN8O/c2*1-17(28-37-36-25-10-9-24(38-40(25)28)34-21-4-2-3-20(30)13-21)33-29(42)26-27(31)32-14-23(35-26)19-7-5-18(6-8-19)15-39-12-11-22(41)16-39;1-14(24-34-33-21-10-9-20(35-36(21)24)31-18-4-2-3-17(26)11-18)30-25(37)22-23(28)29-13-19(32-22)16-7-5-15(12-27)6-8-16;1-10(17-25-24-14-8-7-13(19)26-27(14)17)22-18(28)15-16(20)21-9-12(23-15)11-5-3-2-4-6-11/h2*2-10,13-14,17,22,41H,11-12,15-16H2,1H3,(H2,31,32)(H,33,42)(H,34,38);2-11,13-14H,12,27H2,1H3,(H2,28,29)(H,30,37)(H,31,35);2-10H,1H3,(H2,20,21)(H,22,28)/t17-,22+;17-,22-;14-;10-/m1111/s1
• InChIKey: OFECBKLJUZKBDU-KXLRFMRXSA-N
• XLogP: 13.05
• TPSA: 604.97 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2079.95
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide (CID 159976068) is 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccc(CN)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CC[C@H](O)C3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccccc2)cnc1N)c1nnc2ccc(Cl)nn12.

What is the InChIKey of 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide?

The InChIKey is OFECBKLJUZKBDU-KXLRFMRXSA-N. The full InChI is InChI=1S/2C29H29ClN10O2.C25H23ClN10O.C18H15ClN8O/c2*1-17(28-37-36-25-10-9-24(38-40(25)28)34-21-4-2-3-20(30)13-21)33-29(42)26-27(31)32-14-23(35-26)19-7-5-18(6-8-19)15-39-12-11-22(41)16-39;1-14(24-34-33-21-10-9-20(35-36(21)24)31-18-4-2-3-17(26)11-18)30-25(37)22-23(28)29-13-19(32-22)16-7-5-15(12-27)6-8-16;1-10(17-25-24-14-8-7-13(19)26-27(14)17)22-18(28)15-16(20)21-9-12(23-15)11-5-3-2-4-6-11/h2*2-10,13-14,17,22,41H,11-12,15-16H2,1H3,(H2,31,32)(H,33,42)(H,34,38);2-11,13-14H,12,27H2,1H3,(H2,28,29)(H,30,37)(H,31,35);2-10H,1H3,(H2,20,21)(H,22,28)/t17-,22+;17-,22-;14-;10-/m1111/s1.

What are the key properties of 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide?

3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide has a molecular weight of 2079.95 g/mol, XLogP of 13.05, 27 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-(aminomethyl)phenyl]-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 159976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).