4-hydroxy-2-propyl-1H-imidazole-5-carboxamide

C7H11N3O2 — CID 12901487

IUPAC4-hydroxy-2-propyl-1H-imidazole-5-carboxamide
SMILESCCCc1nc(O)c(C(N)=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-2-3-4-9-5(6(8)11)7(12)10-4/h12H,2-3H2,1H3,(H2,8,11)(H,9,10)
InChIKeyIYLYFPVCVORRGD-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.17
Rot. Bonds3

About 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide

4-hydroxy-2-propyl-1H-imidazole-5-carboxamide (PubChem CID 12901487) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-propyl-1H-imidazole-5-carboxamide
PubChem CID12901487
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-hydroxy-2-propyl-1H-imidazole-5-carboxamide
SMILESCCCc1nc(O)c(C(N)=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-2-3-4-9-5(6(8)11)7(12)10-4/h12H,2-3H2,1H3,(H2,8,11)(H,9,10)
InChIKeyIYLYFPVCVORRGD-UHFFFAOYSA-N
XLogP0.17
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide (CID 12901487) is 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide is CCCc1nc(O)c(C(N)=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide?
The InChIKey is IYLYFPVCVORRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-4-9-5(6(8)11)7(12)10-4/h12H,2-3H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide?
4-hydroxy-2-propyl-1H-imidazole-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-propyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 12901487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).