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

C10H10Cl2N4 — CID 112594015

IUPAC[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N4/c1-16-8(5-13)14-15-10(16)6-3-2-4-7(11)9(6)12/h2-4H,5,13H2,1H3
InChIKeyDRTGMQOYCZVHFR-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.25
Rot. Bonds2

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

[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112594015) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112594015
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N4/c1-16-8(5-13)14-15-10(16)6-3-2-4-7(11)9(6)12/h2-4H,5,13H2,1H3
InChIKeyDRTGMQOYCZVHFR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593888
3-(chloromethyl)-5-(2,3-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115398141
[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanamine
CID 112593887
[5-(4-chloro-2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593844
[5-(2-chloro-6-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112594002
4-tert-butyl-3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole
CID 115397973
[4-tert-butyl-5-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396528
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836
[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396918
[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 178200565
[5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315151

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 112594015) is [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DRTGMQOYCZVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-16-8(5-13)14-15-10(16)6-3-2-4-7(11)9(6)12/h2-4H,5,13H2,1H3.
What are the key properties of [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 257.12 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112594015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).