5-methyl-6-propan-2-yl-1,2,4-triazine

C7H11N3 — CID 89392083

IUPAC5-methyl-6-propan-2-yl-1,2,4-triazine
SMILESCc1ncnnc1C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)7-6(3)8-4-9-10-7/h4-5H,1-3H3
InChIKeyBWSHTXSOEOVNID-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.30
Rot. Bonds1

About 5-methyl-6-propan-2-yl-1,2,4-triazine

5-methyl-6-propan-2-yl-1,2,4-triazine (PubChem CID 89392083) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-1,2,4-triazine
PubChem CID89392083
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-methyl-6-propan-2-yl-1,2,4-triazine
SMILESCc1ncnnc1C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)7-6(3)8-4-9-10-7/h4-5H,1-3H3
InChIKeyBWSHTXSOEOVNID-UHFFFAOYSA-N
XLogP1.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-Ethyl-5-propyl-1,2,4-triazine
CID 85645137
5,6-Di(propan-2-yl)-1,2,4-triazin-3-amine
CID 13950667
6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
CID 13117516
6-Methyl-3,5-di(propan-2-yl)-1,2,4-triazine
CID 20722938
3-Methyl-5,6-di(propan-2-yl)-1,2,4-triazine
CID 21363472
5,6-Diethyl-1,2,4-triazine
CID 53661049
5,6-Di(propan-2-yl)-1,2,4-triazine
CID 57734310
3,5-Dimethyl-6-propan-2-yl-1,2,4-triazine
CID 67471480
5,6-Dipentyl-1,2,4-triazine
CID 68733390

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 5-methyl-6-propan-2-yl-1,2,4-triazine (CID 89392083) is 5-methyl-6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 5-methyl-6-propan-2-yl-1,2,4-triazine is Cc1ncnnc1C(C)C.
What is the InChIKey of 5-methyl-6-propan-2-yl-1,2,4-triazine?
The InChIKey is BWSHTXSOEOVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)7-6(3)8-4-9-10-7/h4-5H,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-1,2,4-triazine?
5-methyl-6-propan-2-yl-1,2,4-triazine has a molecular weight of 137.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 89392083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).