(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine

C10H11ClN4 — CID 114687461

IUPAC(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-15-9(6-13-14-15)10(12)7-4-2-3-5-8(7)11/h2-6,10H,12H2,1H3
InChIKeyAMMJQCHLSZRDJV-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.52
Rot. Bonds2

About (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine

(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 114687461) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID114687461
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-15-9(6-13-14-15)10(12)7-4-2-3-5-8(7)11/h2-6,10H,12H2,1H3
InChIKeyAMMJQCHLSZRDJV-UHFFFAOYSA-N
XLogP1.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methyltriazol-4-yl)methanamine
CID 114688634
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 114688955
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114886665
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586
(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686969

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine (CID 114687461) is (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is AMMJQCHLSZRDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-15-9(6-13-14-15)10(12)7-4-2-3-5-8(7)11/h2-6,10H,12H2,1H3.
What are the key properties of (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine?
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 222.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).