3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine

C12H13ClN4 — CID 55053308

IUPAC3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
SMILESCCCc1ccc(Nc2cnnc(Cl)n2)cc1
InChIInChI=1S/C12H13ClN4/c1-2-3-9-4-6-10(7-5-9)15-11-8-14-17-12(13)16-11/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyRPDDURJONYSOSJ-UHFFFAOYSA-N
MW248.72 g/mol
LogP3.22
Rot. Bonds4

About 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine

3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine (PubChem CID 55053308) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
PubChem CID55053308
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
SMILESCCCc1ccc(Nc2cnnc(Cl)n2)cc1
InChIInChI=1S/C12H13ClN4/c1-2-3-9-4-6-10(7-5-9)15-11-8-14-17-12(13)16-11/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyRPDDURJONYSOSJ-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 81035328
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
3-N-(4-chlorophenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964162
3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 114999612
5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008
2-N-(4-propylphenyl)pyrazine-2,5-diamine
CID 80653384
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
5-N-(4-bromophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964254
3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 115001203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine (CID 55053308) is 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine is CCCc1ccc(Nc2cnnc(Cl)n2)cc1.
What is the InChIKey of 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is RPDDURJONYSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-2-3-9-4-6-10(7-5-9)15-11-8-14-17-12(13)16-11/h4-8H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 248.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 55053308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).