1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide

C9H12N6O2 — CID 107499798

IUPAC1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2cn(CCN)cn2)o1
InChIInChI=1S/C9H12N6O2/c1-6-13-14-9(17-6)12-8(16)7-4-15(3-2-10)5-11-7/h4-5H,2-3,10H2,1H3,(H,12,14,16)
InChIKeyZDTUQWLIGMYYBV-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.21
Rot. Bonds4

About 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide (PubChem CID 107499798) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
PubChem CID107499798
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2cn(CCN)cn2)o1
InChIInChI=1S/C9H12N6O2/c1-6-13-14-9(17-6)12-8(16)7-4-15(3-2-10)5-11-7/h4-5H,2-3,10H2,1H3,(H,12,14,16)
InChIKeyZDTUQWLIGMYYBV-UHFFFAOYSA-N
XLogP-0.21
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide (CID 107499798) is 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide is Cc1nnc(NC(=O)c2cn(CCN)cn2)o1.
What is the InChIKey of 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide?
The InChIKey is ZDTUQWLIGMYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-6-13-14-9(17-6)12-8(16)7-4-15(3-2-10)5-11-7/h4-5H,2-3,10H2,1H3,(H,12,14,16).
What are the key properties of 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107499798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).