3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

C9H12N4 — CID 163821411

IUPAC3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2cnc(C(C)C)cn12
InChIInChI=1S/C9H12N4/c1-6(2)8-5-13-7(3)11-12-9(13)4-10-8/h4-6H,1-3H3
InChIKeyNVSWKFNOTYZBCR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.56
Rot. Bonds1

About 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163821411) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163821411
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2cnc(C(C)C)cn12
InChIInChI=1S/C9H12N4/c1-6(2)8-5-13-7(3)11-12-9(13)4-10-8/h4-6H,1-3H3
InChIKeyNVSWKFNOTYZBCR-UHFFFAOYSA-N
XLogP1.56
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 163821411) is 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2cnc(C(C)C)cn12.
What is the InChIKey of 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NVSWKFNOTYZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)8-5-13-7(3)11-12-9(13)4-10-8/h4-6H,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 176.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163821411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).