5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide

C7H12N4O2 — CID 10607538

IUPAC5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide
SMILESNCc1c(C(N)=O)ncn1CCO
InChIInChI=1S/C7H12N4O2/c8-3-5-6(7(9)13)10-4-11(5)1-2-12/h4,12H,1-3,8H2,(H2,9,13)
InChIKeyRVZNIMGJGZWUDD-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.57
Rot. Bonds4

About 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide

5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide (PubChem CID 10607538) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide
PubChem CID10607538
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide
SMILESNCc1c(C(N)=O)ncn1CCO
InChIInChI=1S/C7H12N4O2/c8-3-5-6(7(9)13)10-4-11(5)1-2-12/h4,12H,1-3,8H2,(H2,9,13)
InChIKeyRVZNIMGJGZWUDD-UHFFFAOYSA-N
XLogP-1.57
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide?
The IUPAC name of 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide (CID 10607538) is 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide?
The canonical SMILES for 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide is NCc1c(C(N)=O)ncn1CCO.
What is the InChIKey of 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide?
The InChIKey is RVZNIMGJGZWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-3-5-6(7(9)13)10-4-11(5)1-2-12/h4,12H,1-3,8H2,(H2,9,13).
What are the key properties of 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide?
5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(2-hydroxyethyl)imidazole-4-carboxamide is sourced from PubChem (CID 10607538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).