N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide

C10H15N7O — CID 125448522

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cn[nH]n1)c1ncnn1CC
InChIInChI=1S/C10H15N7O/c1-3-7(9-11-6-13-17(9)4-2)14-10(18)8-5-12-16-15-8/h5-7H,3-4H2,1-2H3,(H,14,18)(H,12,15,16)/t7-/m0/s1
InChIKeyTWKYGKPYQBTCPZ-ZETCQYMHSA-N
MW249.28 g/mol
LogP0.30
Rot. Bonds5

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide (PubChem CID 125448522) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
PubChem CID125448522
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cn[nH]n1)c1ncnn1CC
InChIInChI=1S/C10H15N7O/c1-3-7(9-11-6-13-17(9)4-2)14-10(18)8-5-12-16-15-8/h5-7H,3-4H2,1-2H3,(H,14,18)(H,12,15,16)/t7-/m0/s1
InChIKeyTWKYGKPYQBTCPZ-ZETCQYMHSA-N
XLogP0.30
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
CID 125446560
2-[4-[1-(2-ethyl-1,2,4-triazol-3-yl)propylcarbamoyl]phenyl]pyridine-4-carboxylic acid
CID 121497701
2-[4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]pyridine-4-carboxylic acid
CID 126428746
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122560853
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
(E)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 122571400
3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125438329

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide (CID 125448522) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide is CC[C@H](NC(=O)c1cn[nH]n1)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide?
The InChIKey is TWKYGKPYQBTCPZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-7(9-11-6-13-17(9)4-2)14-10(18)8-5-12-16-15-8/h5-7H,3-4H2,1-2H3,(H,14,18)(H,12,15,16)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 125448522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).