3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide

C20H24N8O — CID 71541910

IUPAC3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cccnc12
InChIInChI=1S/C20H24N8O/c1-11-9-13(10-12-5-4-8-23-16(11)12)24-19-17(18(22)29)27-28-20(26-19)25-15-7-3-2-6-14(15)21/h4-5,8-10,14-15H,2-3,6-7,21H2,1H3,(H2,22,29)(H2,24,25,26,28)/t14-,15+/m0/s1
InChIKeyOYCGQIRHZRXPPO-LSDHHAIUSA-N
MW392.47 g/mol
LogP2.25
Rot. Bonds5

About 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide

3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 71541910) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
PubChem CID71541910
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cccnc12
InChIInChI=1S/C20H24N8O/c1-11-9-13(10-12-5-4-8-23-16(11)12)24-19-17(18(22)29)27-28-20(26-19)25-15-7-3-2-6-14(15)21/h4-5,8-10,14-15H,2-3,6-7,21H2,1H3,(H2,22,29)(H2,24,25,26,28)/t14-,15+/m0/s1
InChIKeyOYCGQIRHZRXPPO-LSDHHAIUSA-N
XLogP2.25
TPSA144.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide (CID 71541910) is 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide is Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cccnc12.
What is the InChIKey of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is OYCGQIRHZRXPPO-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H24N8O/c1-11-9-13(10-12-5-4-8-23-16(11)12)24-19-17(18(22)29)27-28-20(26-19)25-15-7-3-2-6-14(15)21/h4-5,8-10,14-15H,2-3,6-7,21H2,1H3,(H2,22,29)(H2,24,25,26,28)/t14-,15+/m0/s1.
What are the key properties of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 71541910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).