3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C12H15N5O — CID 81380291

IUPAC3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C12H15N5O/c1-7-5-3-4-6-9(7)8(2)14-11(18)10-15-12(13)17-16-10/h3-6,8H,1-2H3,(H,14,18)(H3,13,15,16,17)/t8-/m1/s1
InChIKeyDGLCNRGDVBYORK-MRVPVSSYSA-N
MW245.29 g/mol
LogP1.19
Rot. Bonds3

About 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 81380291) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID81380291
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C12H15N5O/c1-7-5-3-4-6-9(7)8(2)14-11(18)10-15-12(13)17-16-10/h3-6,8H,1-2H3,(H,14,18)(H3,13,15,16,17)/t8-/m1/s1
InChIKeyDGLCNRGDVBYORK-MRVPVSSYSA-N
XLogP1.19
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-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

3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81396785
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836
3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806480
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81375210
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65049024
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 81380291) is 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide is Cc1ccccc1[C@@H](C)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is DGLCNRGDVBYORK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-5-3-4-6-9(7)8(2)14-11(18)10-15-12(13)17-16-10/h3-6,8H,1-2H3,(H,14,18)(H3,13,15,16,17)/t8-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 81380291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).