3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine

C12H13ClN4 — CID 19787813

IUPAC3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine
SMILESCCNc1nnc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H13ClN4/c1-3-14-11-8(2)15-12(17-16-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyJMZWXQYXIXZJCZ-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine

3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine (PubChem CID 19787813) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine
PubChem CID19787813
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine
SMILESCCNc1nnc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H13ClN4/c1-3-14-11-8(2)15-12(17-16-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyJMZWXQYXIXZJCZ-UHFFFAOYSA-N
XLogP2.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine (CID 19787813) is 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine is CCNc1nnc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine?
The InChIKey is JMZWXQYXIXZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-3-14-11-8(2)15-12(17-16-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine?
3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine has a molecular weight of 248.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethyl-5-methyl-1,2,4-triazin-6-amine is sourced from PubChem (CID 19787813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).