5-amino-1-tert-butylimidazole-4-carboxamide

C8H14N4O — CID 901771

IUPAC5-amino-1-tert-butylimidazole-4-carboxamide
SMILESCC(C)(C)n1cnc(C(N)=O)c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-4-11-5(6(12)9)7(10)13/h4H,9H2,1-3H3,(H2,10,13)
InChIKeyYAAJLHMJFQQKSE-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.32
Rot. Bonds1

About 5-amino-1-tert-butylimidazole-4-carboxamide

5-amino-1-tert-butylimidazole-4-carboxamide (PubChem CID 901771) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-1-tert-butylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butylimidazole-4-carboxamide
PubChem CID901771
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-1-tert-butylimidazole-4-carboxamide
SMILESCC(C)(C)n1cnc(C(N)=O)c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-4-11-5(6(12)9)7(10)13/h4H,9H2,1-3H3,(H2,10,13)
InChIKeyYAAJLHMJFQQKSE-UHFFFAOYSA-N
XLogP0.32
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butylimidazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butylimidazole-4-carboxamide (CID 901771) is 5-amino-1-tert-butylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butylimidazole-4-carboxamide is CC(C)(C)n1cnc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-tert-butylimidazole-4-carboxamide?
The InChIKey is YAAJLHMJFQQKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)12-4-11-5(6(12)9)7(10)13/h4H,9H2,1-3H3,(H2,10,13).
What are the key properties of 5-amino-1-tert-butylimidazole-4-carboxamide?
5-amino-1-tert-butylimidazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butylimidazole-4-carboxamide is sourced from PubChem (CID 901771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).