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

C13H14N4O2 — CID 110464560

IUPAC1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ncn[nH]2)CC1
InChIInChI=1S/C13H14N4O2/c1-19-10-5-3-2-4-9(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)
InChIKeyLHIGUDATTHSSKS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.48
Rot. Bonds4

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

1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 110464560) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID110464560
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ncn[nH]2)CC1
InChIInChI=1S/C13H14N4O2/c1-19-10-5-3-2-4-9(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)
InChIKeyLHIGUDATTHSSKS-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 110464560) is 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2ncn[nH]2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is LHIGUDATTHSSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-10-5-3-2-4-9(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-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
1-(2-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-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110464560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).