5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine

C11H13ClN4 — CID 82021393

IUPAC5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1CCc1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c1-16-10(14-15-11(16)13)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyXTCNMHHCXDQEDN-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.84
Rot. Bonds3

About 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine

5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 82021393) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID82021393
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1CCc1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c1-16-10(14-15-11(16)13)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyXTCNMHHCXDQEDN-UHFFFAOYSA-N
XLogP1.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 19904237
3-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,2,4-triazole
CID 82489308
5-[(2,5-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65317727
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-[3-tert-butyl-5-[2-(2-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]ethanol
CID 139925994
[5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754981
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole
CID 3526547
3-(bromomethyl)-5-[(2-chlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302553
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82469730

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine (CID 82021393) is 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine is Cn1c(N)nnc1CCc1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is XTCNMHHCXDQEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-10(14-15-11(16)13)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,15).
What are the key properties of 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine?
5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 236.71 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 82021393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).