6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine

C9H8ClN5 — CID 23311135

IUPAC6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccccc2Cl)c(N)n1
InChIInChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-8(11)13-9(12)15-14-7/h1-4H,(H4,11,12,13,15)
InChIKeyXOQZRVIKYLPWMI-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.36
Rot. Bonds1

About 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine

6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 23311135) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID23311135
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccccc2Cl)c(N)n1
InChIInChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-8(11)13-9(12)15-14-7/h1-4H,(H4,11,12,13,15)
InChIKeyXOQZRVIKYLPWMI-UHFFFAOYSA-N
XLogP1.36
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine (CID 23311135) is 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2ccccc2Cl)c(N)n1.
What is the InChIKey of 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is XOQZRVIKYLPWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-8(11)13-9(12)15-14-7/h1-4H,(H4,11,12,13,15).
What are the key properties of 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 221.65 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 23311135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).