5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine

C13H14ClN3 — CID 116823301

IUPAC5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine
SMILESCc1nnc(-c2ccc(C(C)C)cc2)c(Cl)n1
InChIInChI=1S/C13H14ClN3/c1-8(2)10-4-6-11(7-5-10)12-13(14)15-9(3)16-17-12/h4-8H,1-3H3
InChIKeyAJKCXFLJYYXNHZ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine

5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine (PubChem CID 116823301) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine
PubChem CID116823301
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine
SMILESCc1nnc(-c2ccc(C(C)C)cc2)c(Cl)n1
InChIInChI=1S/C13H14ClN3/c1-8(2)10-4-6-11(7-5-10)12-13(14)15-9(3)16-17-12/h4-8H,1-3H3
InChIKeyAJKCXFLJYYXNHZ-UHFFFAOYSA-N
XLogP3.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116823361
5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
CID 116823297
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
5-chloro-3-methyl-6-(2,3,4-trimethylphenyl)-1,2,4-triazine
CID 116823386
3-iodo-4-methyl-1-(4-propan-2-ylphenyl)isoquinoline
CID 88860777
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859
[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
CID 14902232
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
3,5-dichloro-N-methyl-6-(4-propan-2-ylphenyl)pyridin-2-amine
CID 102753292
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine?
The IUPAC name of 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine (CID 116823301) is 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine is Cc1nnc(-c2ccc(C(C)C)cc2)c(Cl)n1.
What is the InChIKey of 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine?
The InChIKey is AJKCXFLJYYXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8(2)10-4-6-11(7-5-10)12-13(14)15-9(3)16-17-12/h4-8H,1-3H3.
What are the key properties of 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine?
5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine has a molecular weight of 247.73 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-6-(4-propan-2-ylphenyl)-1,2,4-triazine is sourced from PubChem (CID 116823301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).