N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide

C12H16N6O — CID 91628978

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCn2ccnc2C2CC2)nn1
InChIInChI=1S/C12H16N6O/c1-17-8-10(15-16-17)12(19)14-5-7-18-6-4-13-11(18)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,19)
InChIKeyGDMJHRWQCCRIOX-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 91628978) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide
PubChem CID91628978
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCn2ccnc2C2CC2)nn1
InChIInChI=1S/C12H16N6O/c1-17-8-10(15-16-17)12(19)14-5-7-18-6-4-13-11(18)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,19)
InChIKeyGDMJHRWQCCRIOX-UHFFFAOYSA-N
XLogP0.32
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide with MolForge

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Related Compounds

US10022354, Example 19
CID 121279557
US10022354, Example 204
CID 121279712
US10022354, Example 203
CID 132070232
1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 42465167
1H-imidazol-5-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612757
1H-imidazol-5-yl-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56780023
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1H-1,2,3-triazole-5-carboxamide
CID 56910576
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72043991
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
1H-imidazol-5-yl-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 72141976
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-carboxamide
CID 91923835
US11130748, Example 79
CID 129247086

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide (CID 91628978) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCCn2ccnc2C2CC2)nn1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is GDMJHRWQCCRIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17-8-10(15-16-17)12(19)14-5-7-18-6-4-13-11(18)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,19).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 91628978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).