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

C10H11ClN4 — CID 56721295

IUPAC1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1nncn1-c1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-12-6-10-14-13-7-15(10)9-5-3-2-4-8(9)11/h2-5,7,12H,6H2,1H3
InChIKeyRGWJIKPCPBIDLB-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.64
Rot. Bonds3

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

1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine (PubChem CID 56721295) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
PubChem CID56721295
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1nncn1-c1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-12-6-10-14-13-7-15(10)9-5-3-2-4-8(9)11/h2-5,7,12H,6H2,1H3
InChIKeyRGWJIKPCPBIDLB-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine (CID 56721295) is 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine is CNCc1nncn1-c1ccccc1Cl.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
The InChIKey is RGWJIKPCPBIDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-12-6-10-14-13-7-15(10)9-5-3-2-4-8(9)11/h2-5,7,12H,6H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine?
1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine has a molecular weight of 222.68 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56721295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).