2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide

C14H22N6O — CID 72896730

IUPAC2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1Cn1cnc(C)c1C
InChIInChI=1S/C14H22N6O/c1-4-5-6-20-14(17-13(18-20)7-12(15)21)8-19-9-16-10(2)11(19)3/h9H,4-8H2,1-3H3,(H2,15,21)
InChIKeyAYQORBFDBROLPP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.97
Rot. Bonds7

About 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72896730) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72896730
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1Cn1cnc(C)c1C
InChIInChI=1S/C14H22N6O/c1-4-5-6-20-14(17-13(18-20)7-12(15)21)8-19-9-16-10(2)11(19)3/h9H,4-8H2,1-3H3,(H2,15,21)
InChIKeyAYQORBFDBROLPP-UHFFFAOYSA-N
XLogP0.97
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 157013188
1-butyl-4,5-dimethylimidazole
CID 18671206
2-[1-butyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 72873850
2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 72925150
2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide
CID 72851523
2-[5-[4-(1,3-benzothiazol-2-yl)butyl]-1-butyl-1,2,4-triazol-3-yl]acetamide
CID 154823431
2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 146038853
1-decyl-4,5-dimethylimidazole
CID 116621792
2-[1-butyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038431
2-[1-butyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97456838
ethyl 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanoate
CID 63039386
2-[5-[[(3S)-oxolan-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
CID 97455270

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide (CID 72896730) is 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1Cn1cnc(C)c1C.
What is the InChIKey of 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is AYQORBFDBROLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-5-6-20-14(17-13(18-20)7-12(15)21)8-19-9-16-10(2)11(19)3/h9H,4-8H2,1-3H3,(H2,15,21).
What are the key properties of 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72896730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).