N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide

C8H12N4O — CID 130608801

IUPACN-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)9-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyOSPGZHPLBJFXTQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.05
Rot. Bonds3

About N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide

N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide (PubChem CID 130608801) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
PubChem CID130608801
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)9-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyOSPGZHPLBJFXTQ-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide
CID 112735578
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
CID 130519437
N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
CID 126978139
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide (CID 130608801) is N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide?
The InChIKey is OSPGZHPLBJFXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)9-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,13).
What are the key properties of N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide?
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 130608801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).