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

C10H17N3 — CID 20722938

IUPAC6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine
SMILESCc1nnc(C(C)C)nc1C(C)C
InChIInChI=1S/C10H17N3/c1-6(2)9-8(5)12-13-10(11-9)7(3)4/h6-7H,1-5H3
InChIKeyMRVACJDHRUPBQA-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.43
Rot. Bonds2

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

6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine (PubChem CID 20722938) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine
PubChem CID20722938
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine
SMILESCc1nnc(C(C)C)nc1C(C)C
InChIInChI=1S/C10H17N3/c1-6(2)9-8(5)12-13-10(11-9)7(3)4/h6-7H,1-5H3
InChIKeyMRVACJDHRUPBQA-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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine?
The IUPAC name of 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine (CID 20722938) is 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine?
The canonical SMILES for 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine is Cc1nnc(C(C)C)nc1C(C)C.
What is the InChIKey of 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine?
The InChIKey is MRVACJDHRUPBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-6(2)9-8(5)12-13-10(11-9)7(3)4/h6-7H,1-5H3.
What are the key properties of 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine?
6-methyl-3,5-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 6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine is sourced from PubChem (CID 20722938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).