3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide

C13H20N6O — CID 131902310

IUPAC3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide
SMILESCCCn1cnnc1C(C)NC(=O)c1c(C)ncn1C
InChIInChI=1S/C13H20N6O/c1-5-6-19-8-15-17-12(19)10(3)16-13(20)11-9(2)14-7-18(11)4/h7-8,10H,5-6H2,1-4H3,(H,16,20)
InChIKeyLKZHXZWYBVVWDH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds5

About 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide

3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide (PubChem CID 131902310) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide
PubChem CID131902310
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide
SMILESCCCn1cnnc1C(C)NC(=O)c1c(C)ncn1C
InChIInChI=1S/C13H20N6O/c1-5-6-19-8-15-17-12(19)10(3)16-13(20)11-9(2)14-7-18(11)4/h7-8,10H,5-6H2,1-4H3,(H,16,20)
InChIKeyLKZHXZWYBVVWDH-UHFFFAOYSA-N
XLogP1.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-1-(1-methyl-4-piperidyl)-N-[3-(1-pyrrolidinyl)propyl]-1H-imidazole-4-carboxamide
CID 53181563
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
CID 125438647
3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide
CID 138036813
2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155497986
N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 155952802
5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide
CID 171679220
N-[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]-6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-amine
CID 134701602
N-ethyl-1,2,5-trimethylimidazole-4-carboxamide
CID 21334868
[1-(3-Imidazol-1-ylpropyl)-5-methyltriazol-4-yl]-piperazin-1-ylmethanone
CID 53865230
3-Propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one
CID 89714758
1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide
CID 118419224

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide (CID 131902310) is 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide is CCCn1cnnc1C(C)NC(=O)c1c(C)ncn1C.
What is the InChIKey of 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is LKZHXZWYBVVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-6-19-8-15-17-12(19)10(3)16-13(20)11-9(2)14-7-18(11)4/h7-8,10H,5-6H2,1-4H3,(H,16,20).
What are the key properties of 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide?
3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 131902310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).