3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C9H10N6 — CID 66846527

IUPAC3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cc(-c2nnc3n2CCNC3)ncn1
InChIInChI=1S/C9H10N6/c1-2-11-6-12-7(1)9-14-13-8-5-10-3-4-15(8)9/h1-2,6,10H,3-5H2
InChIKeyMTQQMBZOOKSZPL-UHFFFAOYSA-N
MW202.22 g/mol
LogP-0.16
Rot. Bonds1

About 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 66846527) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID66846527
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cc(-c2nnc3n2CCNC3)ncn1
InChIInChI=1S/C9H10N6/c1-2-11-6-12-7(1)9-14-13-8-5-10-3-4-15(8)9/h1-2,6,10H,3-5H2
InChIKeyMTQQMBZOOKSZPL-UHFFFAOYSA-N
XLogP-0.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 66846527) is 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is c1cc(-c2nnc3n2CCNC3)ncn1.
What is the InChIKey of 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MTQQMBZOOKSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-2-11-6-12-7(1)9-14-13-8-5-10-3-4-15(8)9/h1-2,6,10H,3-5H2.
What are the key properties of 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 202.22 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 66846527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).