[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine

C11H12ClFN4O — CID 82195423

IUPAC[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN4O/c1-18-6-11-10(5-14)15-16-17(11)7-2-3-9(13)8(12)4-7/h2-4H,5-6,14H2,1H3
InChIKeyQVFYNLZJMDIKOA-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.66
Rot. Bonds4

About [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine

[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine (PubChem CID 82195423) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
PubChem CID82195423
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN4O/c1-18-6-11-10(5-14)15-16-17(11)7-2-3-9(13)8(12)4-7/h2-4H,5-6,14H2,1H3
InChIKeyQVFYNLZJMDIKOA-UHFFFAOYSA-N
XLogP1.66
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine (CID 82195423) is [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine is COCc1c(CN)nnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
The InChIKey is QVFYNLZJMDIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-18-6-11-10(5-14)15-16-17(11)7-2-3-9(13)8(12)4-7/h2-4H,5-6,14H2,1H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine has a molecular weight of 270.69 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82195423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).