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

C9H10N6 — CID 1282503

IUPAC3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc(-c2nnc3n2CCCN3)cn1
InChIInChI=1S/C9H10N6/c1-2-12-9-14-13-8(15(9)5-1)7-6-10-3-4-11-7/h3-4,6H,1-2,5H2,(H,12,14)
InChIKeyJVZKRQXGNQCFAE-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.55
Rot. Bonds1

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

3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 1282503) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID1282503
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc(-c2nnc3n2CCCN3)cn1
InChIInChI=1S/C9H10N6/c1-2-12-9-14-13-8(15(9)5-1)7-6-10-3-4-11-7/h3-4,6H,1-2,5H2,(H,12,14)
InChIKeyJVZKRQXGNQCFAE-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 90402524
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904
Sdccgsbi-0659126.P001
CID 53192258
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
2-(5-piperidin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 86820405
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
9-Piperazinopurine
CID 60206540
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazin-2-amine
CID 132373953
[5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-yl]methanamine
CID 64575302
3-Pyrazinyl-4,5-dihydro-1,2,4-triazolo[4,3-a]imidazole
CID 129797928
1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1H-imidazole dihydrochloride
CID 137698595

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine (CID 1282503) is 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine is c1cnc(-c2nnc3n2CCCN3)cn1.
What is the InChIKey of 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is JVZKRQXGNQCFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-2-12-9-14-13-8(15(9)5-1)7-6-10-3-4-11-7/h3-4,6H,1-2,5H2,(H,12,14).
What are the key properties of 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 202.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 1282503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).