3,5-dimethyl-6-propan-2-yl-1,2,4-triazine

C8H13N3 — CID 67471480

IUPAC3,5-dimethyl-6-propan-2-yl-1,2,4-triazine
SMILESCc1nnc(C(C)C)c(C)n1
InChIInChI=1S/C8H13N3/c1-5(2)8-6(3)9-7(4)10-11-8/h5H,1-4H3
InChIKeyQUHMPVWVSOEVPP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds1

About 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine

3,5-dimethyl-6-propan-2-yl-1,2,4-triazine (PubChem CID 67471480) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3,5-dimethyl-6-propan-2-yl-1,2,4-triazine
PubChem CID67471480
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3,5-dimethyl-6-propan-2-yl-1,2,4-triazine
SMILESCc1nnc(C(C)C)c(C)n1
InChIInChI=1S/C8H13N3/c1-5(2)8-6(3)9-7(4)10-11-8/h5H,1-4H3
InChIKeyQUHMPVWVSOEVPP-UHFFFAOYSA-N
XLogP1.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6-Tri (perfluoroisopropyl)-1,2,4-triazine
CID 12633763
3-Chloro-5,6-diethyl-1,2,4-triazine
CID 75481749
5-Ethyl-3,6-dimethyl-1,2,4-triazine
CID 85522679
6-Ethyl-3,5-dimethyl-1,2,4-triazine
CID 85645126
5-Tert-butyl-6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine
CID 171587786
Diethyl-1,2,4-triazin-3-amine
CID 13950666
5,6-Di(propan-2-yl)-1,2,4-triazin-3-amine
CID 13950667
3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
CID 13117517
5,6-Diethyl-3-methyl-1,2,4-triazine
CID 15906352
6-Methyl-3,5-di(propan-2-yl)-1,2,4-triazine
CID 20722938
3,5,6-Tritert-butyl-1,2,4-triazine
CID 20829080
3-Methyl-5,6-di(propan-2-yl)-1,2,4-triazine
CID 21363472

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine (CID 67471480) is 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine is Cc1nnc(C(C)C)c(C)n1.
What is the InChIKey of 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine?
The InChIKey is QUHMPVWVSOEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5(2)8-6(3)9-7(4)10-11-8/h5H,1-4H3.
What are the key properties of 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine?
3,5-dimethyl-6-propan-2-yl-1,2,4-triazine has a molecular weight of 151.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 67471480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).