N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide

C18H21N7O — CID 125166249

IUPACN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nncn1C1CCCC1
InChIInChI=1S/C18H21N7O/c1-13(17-23-21-12-25(17)15-6-2-3-7-15)22-18(26)14-5-4-8-16(9-14)24-10-19-20-11-24/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,22,26)/t13-/m1/s1
InChIKeyAPBKMILCIDVXAB-CYBMUJFWSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds5

About N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 125166249) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID125166249
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nncn1C1CCCC1
InChIInChI=1S/C18H21N7O/c1-13(17-23-21-12-25(17)15-6-2-3-7-15)22-18(26)14-5-4-8-16(9-14)24-10-19-20-11-24/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,22,26)/t13-/m1/s1
InChIKeyAPBKMILCIDVXAB-CYBMUJFWSA-N
XLogP2.46
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 154904698
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 118777279
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457
3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221
3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
CID 118768495
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 125166249) is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide is C[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1nncn1C1CCCC1.
What is the InChIKey of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is APBKMILCIDVXAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13(17-23-21-12-25(17)15-6-2-3-7-15)22-18(26)14-5-4-8-16(9-14)24-10-19-20-11-24/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 125166249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).