7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C12H22N4 — CID 155472783

IUPAC7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCCC(C)(CC)N1CCn2ncnc2C1
InChIInChI=1S/C12H22N4/c1-4-6-12(3,5-2)15-7-8-16-11(9-15)13-10-14-16/h10H,4-9H2,1-3H3
InChIKeyGDHPYRWCJCQYLU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.06
Rot. Bonds4

About 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 155472783) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID155472783
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCCC(C)(CC)N1CCn2ncnc2C1
InChIInChI=1S/C12H22N4/c1-4-6-12(3,5-2)15-7-8-16-11(9-15)13-10-14-16/h10H,4-9H2,1-3H3
InChIKeyGDHPYRWCJCQYLU-UHFFFAOYSA-N
XLogP2.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 155472783) is 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CCCC(C)(CC)N1CCn2ncnc2C1.
What is the InChIKey of 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is GDHPYRWCJCQYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-6-12(3,5-2)15-7-8-16-11(9-15)13-10-14-16/h10H,4-9H2,1-3H3.
What are the key properties of 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 222.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 155472783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).