1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine

C10H10ClFN4 — CID 107531115

IUPAC1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H10ClFN4/c1-13-5-8-6-16(15-14-8)10-4-7(12)2-3-9(10)11/h2-4,6,13H,5H2,1H3
InChIKeyPMQSYAMKBGVDTA-UHFFFAOYSA-N
MW240.67 g/mol
LogP1.78
Rot. Bonds3

About 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine

1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 107531115) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID107531115
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H10ClFN4/c1-13-5-8-6-16(15-14-8)10-4-7(12)2-3-9(10)11/h2-4,6,13H,5H2,1H3
InChIKeyPMQSYAMKBGVDTA-UHFFFAOYSA-N
XLogP1.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine (CID 107531115) is 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2cc(F)ccc2Cl)nn1.
What is the InChIKey of 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is PMQSYAMKBGVDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-13-5-8-6-16(15-14-8)10-4-7(12)2-3-9(10)11/h2-4,6,13H,5H2,1H3.
What are the key properties of 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 240.67 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107531115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).