[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine

C15H15ClN4S — CID 94943274

IUPAC[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2Cl)c1Cc1cccs1
InChIInChI=1S/C15H15ClN4S/c16-13-6-2-1-4-11(13)10-20-15(14(9-17)18-19-20)8-12-5-3-7-21-12/h1-7H,8-10,17H2
InChIKeyKCKGTTRHSYJJTP-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.09
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine

[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine (PubChem CID 94943274) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
PubChem CID94943274
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2Cl)c1Cc1cccs1
InChIInChI=1S/C15H15ClN4S/c16-13-6-2-1-4-11(13)10-20-15(14(9-17)18-19-20)8-12-5-3-7-21-12/h1-7H,8-10,17H2
InChIKeyKCKGTTRHSYJJTP-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methylphenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
CID 82203284
[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82203445
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
1-[(2-methylphenyl)methyl]-5-(thiophen-2-ylmethyl)triazole-4-carbonitrile
CID 82204057
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
3-[(2-chlorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-6H-triazolo[4,5-d]pyrimidine-5-carboxamide
CID 135401871
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine (CID 94943274) is [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine is NCc1nnn(Cc2ccccc2Cl)c1Cc1cccs1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is KCKGTTRHSYJJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c16-13-6-2-1-4-11(13)10-20-15(14(9-17)18-19-20)8-12-5-3-7-21-12/h1-7H,8-10,17H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine?
[1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 318.83 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94943274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).