4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid

C12H17F3N4O3 — CID 67236571

IUPAC4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(N)nc1C(=O)NC1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N4O.C2HF3O2/c1-14-6-8(11)13-9(14)10(15)12-7-4-2-3-5-7;3-2(4,5)1(6)7/h6-7H,2-5,11H2,1H3,(H,12,15);(H,6,7)
InChIKeyQUKGZWIEKGZVMD-UHFFFAOYSA-N
MW322.29 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid

4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67236571) has the molecular formula C12H17F3N4O3 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67236571
Molecular FormulaC12H17F3N4O3
Molecular Weight322.29 g/mol
Exact Mass322.13
IUPAC Name4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(N)nc1C(=O)NC1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N4O.C2HF3O2/c1-14-6-8(11)13-9(14)10(15)12-7-4-2-3-5-7;3-2(4,5)1(6)7/h6-7H,2-5,11H2,1H3,(H,12,15);(H,6,7)
InChIKeyQUKGZWIEKGZVMD-UHFFFAOYSA-N
XLogP1.31
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67236571) is 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(N)nc1C(=O)NC1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QUKGZWIEKGZVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.C2HF3O2/c1-14-6-8(11)13-9(14)10(15)12-7-4-2-3-5-7;3-2(4,5)1(6)7/h6-7H,2-5,11H2,1H3,(H,12,15);(H,6,7).
What are the key properties of 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 322.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).