[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine

C10H11ClN4 — CID 82203684

IUPAC[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
SMILESNCc1cnnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c11-9-3-1-2-8(4-9)7-15-10(5-12)6-13-14-15/h1-4,6H,5,7,12H2
InChIKeyNYBONXMPFHNLIW-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.44
Rot. Bonds3

About [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine

[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203684) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203684
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
SMILESNCc1cnnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c11-9-3-1-2-8(4-9)7-15-10(5-12)6-13-14-15/h1-4,6H,5,7,12H2
InChIKeyNYBONXMPFHNLIW-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
CID 90489043
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
1-[(3-chlorophenyl)methyl]triazole
CID 12811466
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82203675
6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 116788203
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine (CID 82203684) is [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine is NCc1cnnn1Cc1cccc(Cl)c1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is NYBONXMPFHNLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-9-3-1-2-8(4-9)7-15-10(5-12)6-13-14-15/h1-4,6H,5,7,12H2.
What are the key properties of [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine?
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82203684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).