[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine

C10H10Cl2N4 — CID 82482816

IUPAC[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1nc(CN)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H10Cl2N4/c1-6-14-10(5-13)16(15-6)9-3-2-7(11)4-8(9)12/h2-4H,5,13H2,1H3
InChIKeyUJZRHBYSCXNJBI-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.34
Rot. Bonds2

About [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine

[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82482816) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82482816
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1nc(CN)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H10Cl2N4/c1-6-14-10(5-13)16(15-6)9-3-2-7(11)4-8(9)12/h2-4H,5,13H2,1H3
InChIKeyUJZRHBYSCXNJBI-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
CID 175512322
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
CID 82419280
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
CID 66021764
2-[2-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82482089
2-[2-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667858
[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82470262
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
CID 123784071
ethyl 5-chloro-1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
CID 121346461
1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]butan-2-amine
CID 81165652
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-one
CID 12898506

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine (CID 82482816) is [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine is Cc1nc(CN)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UJZRHBYSCXNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-6-14-10(5-13)16(15-6)9-3-2-7(11)4-8(9)12/h2-4H,5,13H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 257.12 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82482816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).