1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide

C10H12N4O — CID 150804599

IUPAC1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C1(N)C=CC=CC1
InChIInChI=1S/C10H12N4O/c11-8(15)9-13-6-7-14(9)10(12)4-2-1-3-5-10/h1-4,6-7H,5,12H2,(H2,11,15)
InChIKeyKGPGPGLTBRELME-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.11
Rot. Bonds2

About 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide

1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide (PubChem CID 150804599) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide
PubChem CID150804599
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C1(N)C=CC=CC1
InChIInChI=1S/C10H12N4O/c11-8(15)9-13-6-7-14(9)10(12)4-2-1-3-5-10/h1-4,6-7H,5,12H2,(H2,11,15)
InChIKeyKGPGPGLTBRELME-UHFFFAOYSA-N
XLogP0.11
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide?
The IUPAC name of 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide (CID 150804599) is 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide is NC(=O)c1nccn1C1(N)C=CC=CC1.
What is the InChIKey of 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide?
The InChIKey is KGPGPGLTBRELME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-8(15)9-13-6-7-14(9)10(12)4-2-1-3-5-10/h1-4,6-7H,5,12H2,(H2,11,15).
What are the key properties of 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide?
1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexa-2,4-dien-1-yl)imidazole-2-carboxamide is sourced from PubChem (CID 150804599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).