2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane

C9H18N4 — CID 144729337

IUPAC2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane
SMILESCC.Cc1nc2n(n1)CCN(C)C2
InChIInChI=1S/C7H12N4.C2H6/c1-6-8-7-5-10(2)3-4-11(7)9-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyNHRHLCAMBZCHMC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.06
Rot. Bonds

About 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane

2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane (PubChem CID 144729337) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane.

Molecular Properties

Compound Name2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane
PubChem CID144729337
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane
SMILESCC.Cc1nc2n(n1)CCN(C)C2
InChIInChI=1S/C7H12N4.C2H6/c1-6-8-7-5-10(2)3-4-11(7)9-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyNHRHLCAMBZCHMC-UHFFFAOYSA-N
XLogP1.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 51606505
2-methyl-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyrazine
CID 18406955
7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70214013
5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 83872309
1-[(1-butyl-3-methyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 129615362
3-(Trifluoromethyl)-7-methyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 45097024
7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57531006
2-(Fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 57586056
8-methyl-7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57917048
7-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58157198
7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59856280
7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 67977973

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The IUPAC name of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane (CID 144729337) is 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane.
What is the SMILES notation for 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The canonical SMILES for 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane is CC.Cc1nc2n(n1)CCN(C)C2.
What is the InChIKey of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The InChIKey is NHRHLCAMBZCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.C2H6/c1-6-8-7-5-10(2)3-4-11(7)9-6;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane has a molecular weight of 182.27 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;ethane is sourced from PubChem (CID 144729337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).