N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide

C8H12N4O — CID 103883571

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCn1cnc(CNC(=O)C2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-5-10-7(11-12)4-9-8(13)6-2-3-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyUBXRNGRDXZETHM-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.16
Rot. Bonds3

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 103883571) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
PubChem CID103883571
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCn1cnc(CNC(=O)C2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-5-10-7(11-12)4-9-8(13)6-2-3-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyUBXRNGRDXZETHM-UHFFFAOYSA-N
XLogP-0.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114124827
2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 82412851
1-tert-butyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103882156
1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103885543
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884853
N-[(2,3-dimethylimidazol-4-yl)methyl]cyclopropanecarboxamide
CID 164659423
2-cyano-2-ethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 114125429
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122252737
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
3,3-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113364543
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 103883547

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide (CID 103883571) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide is Cn1cnc(CNC(=O)C2CC2)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is UBXRNGRDXZETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-5-10-7(11-12)4-9-8(13)6-2-3-6/h5-6H,2-4H2,1H3,(H,9,13).
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 103883571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).