3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide

C12H18N6O2 — CID 138034566

IUPAC3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C12H18N6O2/c1-8(2)10-16-14-7-18(10)5-4-13-11(19)9-6-17(3)12(20)15-9/h6-8H,4-5H2,1-3H3,(H,13,19)(H,15,20)
InChIKeyANXRHAMYAPCOBZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.14
Rot. Bonds5

About 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide

3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 138034566) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID138034566
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C12H18N6O2/c1-8(2)10-16-14-7-18(10)5-4-13-11(19)9-6-17(3)12(20)15-9/h6-8H,4-5H2,1-3H3,(H,13,19)(H,15,20)
InChIKeyANXRHAMYAPCOBZ-UHFFFAOYSA-N
XLogP-0.14
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide (CID 138034566) is 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide is CC(C)c1nncn1CCNC(=O)c1cn(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is ANXRHAMYAPCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8(2)10-16-14-7-18(10)5-4-13-11(19)9-6-17(3)12(20)15-9/h6-8H,4-5H2,1-3H3,(H,13,19)(H,15,20).
What are the key properties of 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 278.32 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138034566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).