1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C13H14N4O2 — CID 110485671

IUPAC1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ncn[nH]3)CC2)cc1
InChIInChI=1S/C13H14N4O2/c1-19-10-4-2-9(3-5-10)13(6-7-13)11(18)16-12-14-8-15-17-12/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyTULPFYAKEWNJBP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.48
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 110485671) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID110485671
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ncn[nH]3)CC2)cc1
InChIInChI=1S/C13H14N4O2/c1-19-10-4-2-9(3-5-10)13(6-7-13)11(18)16-12-14-8-15-17-12/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyTULPFYAKEWNJBP-UHFFFAOYSA-N
XLogP1.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 110464560
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
CID 110489890
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 75489297

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 110485671) is 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ncn[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is TULPFYAKEWNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-10-4-2-9(3-5-10)13(6-7-13)11(18)16-12-14-8-15-17-12/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110485671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).