2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide

C8H12N4O — CID 60982294

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H12N4O/c1-5-2-6(5)8(13)9-3-7-10-4-11-12-7/h4-6H,2-3H2,1H3,(H,9,13)(H,10,11,12)
InChIKeyZGRKFDPIGRALCJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.08
Rot. Bonds3

About 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 60982294) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
PubChem CID60982294
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H12N4O/c1-5-2-6(5)8(13)9-3-7-10-4-11-12-7/h4-6H,2-3H2,1H3,(H,9,13)(H,10,11,12)
InChIKeyZGRKFDPIGRALCJ-UHFFFAOYSA-N
XLogP0.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide (CID 60982294) is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide is CC1CC1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZGRKFDPIGRALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-2-6(5)8(13)9-3-7-10-4-11-12-7/h4-6H,2-3H2,1H3,(H,9,13)(H,10,11,12).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 60982294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).