5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide

C19H23N9O — CID 86685547

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/m0/s1
InChIKeyLNSHRRIZLHPDEU-LSDHHAIUSA-N
MW393.46 g/mol
LogP1.58
Rot. Bonds6

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide (PubChem CID 86685547) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide
PubChem CID86685547
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/m0/s1
InChIKeyLNSHRRIZLHPDEU-LSDHHAIUSA-N
XLogP1.58
TPSA149.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P505-15
CID 44462758
3-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-Triazol-2-Yl)phenyl]amino}-1,2,4-Triazine-6-Carboxamide
CID 72703033
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(triazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 71547422
2-[[(2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 70952829
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-2-(triazol-2-yl)pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733354
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-methylindazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72202740
8-(Cyclopropylamino)-6-(phenylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943115
UNC6535 trihydrochloride
CID 155568230
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482432
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482435
6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415192

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide (CID 86685547) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide is NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is LNSHRRIZLHPDEU-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[3-(triazol-2-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 86685547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).