3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine

C12H12Cl2N4 — CID 81035328

IUPAC3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
SMILESCCCc1ccc(Nc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H12Cl2N4/c1-2-3-8-4-6-9(7-5-8)15-11-10(13)17-18-12(14)16-11/h4-7H,2-3H2,1H3,(H,15,16,18)
InChIKeyMWEKHTNMPZJUGO-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.87
Rot. Bonds4

About 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine (PubChem CID 81035328) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
PubChem CID81035328
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
SMILESCCCc1ccc(Nc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H12Cl2N4/c1-2-3-8-4-6-9(7-5-8)15-11-10(13)17-18-12(14)16-11/h4-7H,2-3H2,1H3,(H,15,16,18)
InChIKeyMWEKHTNMPZJUGO-UHFFFAOYSA-N
XLogP3.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 55053308
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
CID 104787158
3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 81035859
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
CID 60844737
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 81036321
2-ethyl-6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80994993
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
CID 81036767
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine (CID 81035328) is 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine is CCCc1ccc(Nc2nc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is MWEKHTNMPZJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-2-3-8-4-6-9(7-5-8)15-11-10(13)17-18-12(14)16-11/h4-7H,2-3H2,1H3,(H,15,16,18).
What are the key properties of 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 283.16 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).