3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide

C17H21N9O — CID 118097546

About 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide

3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide (PubChem CID 118097546) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide
• PubChem CID: 118097546
• Molecular Formula: C17H21N9O
• Molecular Weight: 367.42 g/mol
• Exact Mass: 367.19
• IUPAC Name: 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide
• SMILES: NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnn2ccccc12
• InChI: InChI=1S/C17H21N9O/c18-10-5-1-2-6-11(10)22-17-23-16(14(15(19)27)24-25-17)21-12-9-20-26-8-4-3-7-13(12)26/h3-4,7-11H,1-2,5-6,18H2,(H2,19,27)(H2,21,22,23,25)/t10-,11+/m0/s1
• InChIKey: AFEVUZLPGUTJEX-WDEREUQCSA-N
• XLogP: 1.04
• TPSA: 149.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.42
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide?

The IUPAC name of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide (CID 118097546) is 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide is NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnn2ccccc12.

What is the InChIKey of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide?

The InChIKey is AFEVUZLPGUTJEX-WDEREUQCSA-N. The full InChI is InChI=1S/C17H21N9O/c18-10-5-1-2-6-11(10)22-17-23-16(14(15(19)27)24-25-17)21-12-9-20-26-8-4-3-7-13(12)26/h3-4,7-11H,1-2,5-6,18H2,(H2,19,27)(H2,21,22,23,25)/t10-,11+/m0/s1.

What are the key properties of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide?

3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 118097546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).