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

C10H10Cl2N4 — CID 82482823

IUPAC[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1nc(CN)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N4/c1-6-14-9(5-13)15-16(6)8-4-2-3-7(11)10(8)12/h2-4H,5,13H2,1H3
InChIKeyVFRQMDZJSHGZJS-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.34
Rot. Bonds2

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

[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82482823) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82482823
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1nc(CN)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N4/c1-6-14-9(5-13)15-16(6)8-4-2-3-7(11)10(8)12/h2-4H,5,13H2,1H3
InChIKeyVFRQMDZJSHGZJS-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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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine (CID 82482823) is [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine is Cc1nc(CN)nn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is VFRQMDZJSHGZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-6-14-9(5-13)15-16(6)8-4-2-3-7(11)10(8)12/h2-4H,5,13H2,1H3.
What are the key properties of [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
[1-(2,3-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 [1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82482823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).