3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C9H16N4 — CID 56828813

IUPAC3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)Cc1nnc2n1CCNC2
InChIInChI=1S/C9H16N4/c1-7(2)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,3-6H2,1-2H3
InChIKeyYDGYOONMGVOMSY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.58
Rot. Bonds2

About 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 56828813) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID56828813
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)Cc1nnc2n1CCNC2
InChIInChI=1S/C9H16N4/c1-7(2)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,3-6H2,1-2H3
InChIKeyYDGYOONMGVOMSY-UHFFFAOYSA-N
XLogP0.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 56828813) is 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)Cc1nnc2n1CCNC2.
What is the InChIKey of 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YDGYOONMGVOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 56828813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).