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

C10H11ClN4 — CID 118740688

IUPACN-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1ncnc1NCc1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-15-10(13-7-14-15)12-6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13,14)
InChIKeyYYQKBNYTOGSNPH-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.08
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 118740688) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID118740688
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1ncnc1NCc1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-15-10(13-7-14-15)12-6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13,14)
InChIKeyYYQKBNYTOGSNPH-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-1-(3-(2-Chlorophenyl)-2-(4-fluorophenyl)allyl)-1H-1,2,4-triazole
CID 10870725
N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine
CID 4727782
7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834904
N-[(2,4-dichlorophenyl)methyl]-1-propyltetrazol-5-amine
CID 1511419
[(2,6-Dichlorophenyl)methyl](1-propyl(1,2,3,4-tetraazol-5-yl))amine
CID 2964092
N-(2-chlorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725625
1-[(2,6-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole
CID 674556
N-((2-Chloro-6-fluorophenyl)methyl)-1-methyl-1H-tetrazol-5-amine
CID 1251687
N-benzyl-1H-1,2,4-triazol-5-amine
CID 313645
N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 580629
{1-[(4-Chlorophenyl)methyl](1,2,4-triazol-4-yl)}nitroamine
CID 4611888
1-[(2-Chlorophenyl)methyl]-3-nitro-1,2,4-triazole
CID 716376

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 118740688) is N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is Cn1ncnc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is YYQKBNYTOGSNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-15-10(13-7-14-15)12-6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 222.68 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 118740688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).