(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide

C12H19N7O — CID 124855083

IUPAC(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCn1cnnc1CN(C)C(=O)[C@@H](C)Cn1cncn1
InChIInChI=1S/C12H19N7O/c1-4-18-9-14-16-11(18)6-17(3)12(20)10(2)5-19-8-13-7-15-19/h7-10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyYNXCVSPKWFYCGD-JTQLQIEISA-N
MW277.33 g/mol
LogP0.18
Rot. Bonds6

About (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 124855083) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID124855083
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCn1cnnc1CN(C)C(=O)[C@@H](C)Cn1cncn1
InChIInChI=1S/C12H19N7O/c1-4-18-9-14-16-11(18)6-17(3)12(20)10(2)5-19-8-13-7-15-19/h7-10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyYNXCVSPKWFYCGD-JTQLQIEISA-N
XLogP0.18
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide 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

N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 90648331
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131895612
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439129
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439130
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 50981617
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19540165
3-[ethyl-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106303745
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide (CID 124855083) is (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide is CCn1cnnc1CN(C)C(=O)[C@@H](C)Cn1cncn1.
What is the InChIKey of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YNXCVSPKWFYCGD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N7O/c1-4-18-9-14-16-11(18)6-17(3)12(20)10(2)5-19-8-13-7-15-19/h7-10H,4-6H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 277.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 124855083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).