1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C14H17ClFN5O — CID 119293738

IUPAC1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCCC1
InChIInChI=1S/C14H16FN5O.ClH/c15-11-7-10(3-4-12(11)20-9-17-8-18-20)19-13(21)14(16)5-1-2-6-14;/h3-4,7-9H,1-2,5-6,16H2,(H,19,21);1H
InChIKeyABUXBCXRAAWKNQ-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.04
Rot. Bonds3

About 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119293738) has the molecular formula C14H17ClFN5O and a molecular weight of 325.78 g/mol. Its IUPAC name is 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119293738
Molecular FormulaC14H17ClFN5O
Molecular Weight325.78 g/mol
Exact Mass325.11
IUPAC Name1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCCC1
InChIInChI=1S/C14H16FN5O.ClH/c15-11-7-10(3-4-12(11)20-9-17-8-18-20)19-13(21)14(16)5-1-2-6-14;/h3-4,7-9H,1-2,5-6,16H2,(H,19,21);1H
InChIKeyABUXBCXRAAWKNQ-UHFFFAOYSA-N
XLogP2.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
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2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
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N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119293738) is 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCCC1.
What is the InChIKey of 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ABUXBCXRAAWKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O.ClH/c15-11-7-10(3-4-12(11)20-9-17-8-18-20)19-13(21)14(16)5-1-2-6-14;/h3-4,7-9H,1-2,5-6,16H2,(H,19,21);1H.
What are the key properties of 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 325.78 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119293738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).