5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine

C10H17N3 — CID 144749797

IUPAC5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine
SMILESCc1nc(C(C)C)nnc1C(C)C
InChIInChI=1S/C10H17N3/c1-6(2)9-8(5)11-10(7(3)4)13-12-9/h6-7H,1-5H3
InChIKeyOKSPGSCWZDKCOS-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.43
Rot. Bonds2

About 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine

5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine (PubChem CID 144749797) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine
PubChem CID144749797
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine
SMILESCc1nc(C(C)C)nnc1C(C)C
InChIInChI=1S/C10H17N3/c1-6(2)9-8(5)11-10(7(3)4)13-12-9/h6-7H,1-5H3
InChIKeyOKSPGSCWZDKCOS-UHFFFAOYSA-N
XLogP2.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine
CID 20722938
4,6-dimethyl-2-propan-2-ylpyrimidin-5-ol
CID 15584112
1-(5,6-dimethyl-1,2,4-triazin-3-yl)ethanamine
CID 82467818
2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
CID 159133858
5-methyl-6-propan-2-yl-1,2,4-triazine
CID 89392083
5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
CID 116823297
2,3,4,5-tetramethyl-6-propan-2-ylpyridine
CID 21340844
2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
CID 129153906
N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine
CID 116823547
2,6-dimethyl-3,5-di(propan-2-yl)pyrazine;4,5-dimethyl-2,6-di(propan-2-yl)pyrimidine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene;bis(2,3,5-trimethyl-4,6-di(propan-2-yl)pyridine);2,4,6-trimethyl-3,5-di(propan-2-yl)pyridine;3,4,5-trimethyl-2,6-di(propan-2-yl)pyridine
CID 164995532
2,3,5-trimethyl-6-propan-2-ylpyridine
CID 89070171
2,3,5-trimethyl-4,6-di(propan-2-yl)pyridine
CID 58935885

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine?
The IUPAC name of 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine (CID 144749797) is 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine.
What is the SMILES notation for 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine?
The canonical SMILES for 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine is Cc1nc(C(C)C)nnc1C(C)C.
What is the InChIKey of 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine?
The InChIKey is OKSPGSCWZDKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-6(2)9-8(5)11-10(7(3)4)13-12-9/h6-7H,1-5H3.
What are the key properties of 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine?
5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine has a molecular weight of 179.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine is sourced from PubChem (CID 144749797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).