6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

C19H27N7O — CID 71626822

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C19H27N7O/c1-11(2)13-8-5-9-16(22-13)24-15-10-17(25-26-18(15)19(21)27)23-14-7-4-3-6-12(14)20/h5,8-12,14H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1
InChIKeyDJRLVHJVKUASQC-GXTWGEPZSA-N
MW369.47 g/mol
LogP2.52
Rot. Bonds6

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626822) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626822
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C19H27N7O/c1-11(2)13-8-5-9-16(22-13)24-15-10-17(25-26-18(15)19(21)27)23-14-7-4-3-6-12(14)20/h5,8-12,14H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1
InChIKeyDJRLVHJVKUASQC-GXTWGEPZSA-N
XLogP2.52
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626822) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is DJRLVHJVKUASQC-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H27N7O/c1-11(2)13-8-5-9-16(22-13)24-15-10-17(25-26-18(15)19(21)27)23-14-7-4-3-6-12(14)20/h5,8-12,14H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).