[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride

C12H11ClFN5 — CID 174059011

IUPAC[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1ncnn1-c1cnc2cc(F)ccc2c1
InChIInChI=1S/C12H10FN5.ClH/c13-9-2-1-8-3-10(6-15-11(8)4-9)18-12(5-14)16-7-17-18;/h1-4,6-7H,5,14H2;1H
InChIKeyIVEGNKRDTIXUSJ-UHFFFAOYSA-N
MW279.71 g/mol
LogP1.84
Rot. Bonds2

About [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride

[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride (PubChem CID 174059011) has the molecular formula C12H11ClFN5 and a molecular weight of 279.71 g/mol. Its IUPAC name is [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
PubChem CID174059011
Molecular FormulaC12H11ClFN5
Molecular Weight279.71 g/mol
Exact Mass279.07
IUPAC Name[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1ncnn1-c1cnc2cc(F)ccc2c1
InChIInChI=1S/C12H10FN5.ClH/c13-9-2-1-8-3-10(6-15-11(8)4-9)18-12(5-14)16-7-17-18;/h1-4,6-7H,5,14H2;1H
InChIKeyIVEGNKRDTIXUSJ-UHFFFAOYSA-N
XLogP1.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 107447423
[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 169041735
7-fluoro-3-propan-2-ylquinoline
CID 118097497
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
7-fluoroquinoline-3-carboxamide
CID 54200639
6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine
CID 155911358
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 105408699
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
CID 62677520
3-(7-fluoroquinazolin-2-yl)propan-1-amine
CID 105457309
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
CID 170294733

Frequently Asked Questions

What is the IUPAC name of [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride (CID 174059011) is [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride is Cl.NCc1ncnn1-c1cnc2cc(F)ccc2c1.
What is the InChIKey of [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The InChIKey is IVEGNKRDTIXUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5.ClH/c13-9-2-1-8-3-10(6-15-11(8)4-9)18-12(5-14)16-7-17-18;/h1-4,6-7H,5,14H2;1H.
What are the key properties of [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride has a molecular weight of 279.71 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 174059011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).