1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine

C11H13ClN4 — CID 83897435

IUPAC1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cccc(Cl)c2)nn1C
InChIInChI=1S/C11H13ClN4/c1-13-7-10-14-11(15-16(10)2)8-4-3-5-9(12)6-8/h3-6,13H,7H2,1-2H3
InChIKeyHDYFUYBHPRSHFS-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.85
Rot. Bonds3

About 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine

1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine (PubChem CID 83897435) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
PubChem CID83897435
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cccc(Cl)c2)nn1C
InChIInChI=1S/C11H13ClN4/c1-13-7-10-14-11(15-16(10)2)8-4-3-5-9(12)6-8/h3-6,13H,7H2,1-2H3
InChIKeyHDYFUYBHPRSHFS-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine (CID 83897435) is 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine is CNCc1nc(-c2cccc(Cl)c2)nn1C.
What is the InChIKey of 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine?
The InChIKey is HDYFUYBHPRSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-13-7-10-14-11(15-16(10)2)8-4-3-5-9(12)6-8/h3-6,13H,7H2,1-2H3.
What are the key properties of 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine?
1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine has a molecular weight of 236.71 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83897435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).