5-(3-aminopropyl)-1H-imidazole-4-carboxamide

C7H12N4O — CID 57316062

IUPAC5-(3-aminopropyl)-1H-imidazole-4-carboxamide
SMILESNCCCc1[nH]cnc1C(N)=O
InChIInChI=1S/C7H12N4O/c8-3-1-2-5-6(7(9)12)11-4-10-5/h4H,1-3,8H2,(H2,9,12)(H,10,11)
InChIKeyRTTOKYYDCMMCFF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.60
Rot. Bonds4

About 5-(3-aminopropyl)-1H-imidazole-4-carboxamide

5-(3-aminopropyl)-1H-imidazole-4-carboxamide (PubChem CID 57316062) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-aminopropyl)-1H-imidazole-4-carboxamide
PubChem CID57316062
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(3-aminopropyl)-1H-imidazole-4-carboxamide
SMILESNCCCc1[nH]cnc1C(N)=O
InChIInChI=1S/C7H12N4O/c8-3-1-2-5-6(7(9)12)11-4-10-5/h4H,1-3,8H2,(H2,9,12)(H,10,11)
InChIKeyRTTOKYYDCMMCFF-UHFFFAOYSA-N
XLogP-0.60
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1H-imidazole-4-carboxamide?
The IUPAC name of 5-(3-aminopropyl)-1H-imidazole-4-carboxamide (CID 57316062) is 5-(3-aminopropyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-(3-aminopropyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-(3-aminopropyl)-1H-imidazole-4-carboxamide is NCCCc1[nH]cnc1C(N)=O.
What is the InChIKey of 5-(3-aminopropyl)-1H-imidazole-4-carboxamide?
The InChIKey is RTTOKYYDCMMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-3-1-2-5-6(7(9)12)11-4-10-5/h4H,1-3,8H2,(H2,9,12)(H,10,11).
What are the key properties of 5-(3-aminopropyl)-1H-imidazole-4-carboxamide?
5-(3-aminopropyl)-1H-imidazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 57316062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).