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

C13H15ClN4 — CID 53156024

IUPAC3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2cccc(Cl)c2)nc1NC(C)C
InChIInChI=1S/C13H15ClN4/c1-8(2)15-12-9(3)17-18-13(16-12)10-5-4-6-11(14)7-10/h4-8H,1-3H3,(H,15,16,18)
InChIKeyXIUAXHYHWFQEMC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.32
Rot. Bonds3

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

3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 53156024) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID53156024
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2cccc(Cl)c2)nc1NC(C)C
InChIInChI=1S/C13H15ClN4/c1-8(2)15-12-9(3)17-18-13(16-12)10-5-4-6-11(14)7-10/h4-8H,1-3H3,(H,15,16,18)
InChIKeyXIUAXHYHWFQEMC-UHFFFAOYSA-N
XLogP3.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine (CID 53156024) is 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine is Cc1nnc(-c2cccc(Cl)c2)nc1NC(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is XIUAXHYHWFQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8(2)15-12-9(3)17-18-13(16-12)10-5-4-6-11(14)7-10/h4-8H,1-3H3,(H,15,16,18).
What are the key properties of 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine?
3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 262.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-methyl-N-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 53156024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).