[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone

C18H19N7O — CID 58976629

IUPAC[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(Nc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C18H19N7O/c19-17-22-18(23-25(17)15-5-1-2-10-20-15)21-14-8-6-13(7-9-14)16(26)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H3,19,21,22,23)
InChIKeyKLTDLHQHZZHBEK-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.22
Rot. Bonds4

About [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone

[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 58976629) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID58976629
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(Nc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C18H19N7O/c19-17-22-18(23-25(17)15-5-1-2-10-20-15)21-14-8-6-13(7-9-14)16(26)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H3,19,21,22,23)
InChIKeyKLTDLHQHZZHBEK-UHFFFAOYSA-N
XLogP2.22
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 162094850
3-N-[4-(1-isocyano-4-piperidin-1-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 59011460
3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56595688
2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol
CID 10315138
[4-[5-amino-3-(2-methoxyanilino)-1,2,4-triazol-1-yl]phenyl]-piperidin-1-ylmethanone
CID 58976439
1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol
CID 56593683
5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 58976577
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
3-N-[4-(1-isocyano-4-piperidin-1-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(4-morpholin-4-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 158151759
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58716700

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone (CID 58976629) is [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone is Nc1nc(Nc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccccn1.
What is the InChIKey of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KLTDLHQHZZHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c19-17-22-18(23-25(17)15-5-1-2-10-20-15)21-14-8-6-13(7-9-14)16(26)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H3,19,21,22,23).
What are the key properties of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58976629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).