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

C10H11N5 — CID 62587692

IUPAC3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cc(-c2nnc3n2CCNC3)ccn1
InChIInChI=1S/C10H11N5/c1-3-11-4-2-8(1)10-14-13-9-7-12-5-6-15(9)10/h1-4,12H,5-7H2
InChIKeyGNZXCVATTPQTRU-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.44
Rot. Bonds1

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

3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62587692) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62587692
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cc(-c2nnc3n2CCNC3)ccn1
InChIInChI=1S/C10H11N5/c1-3-11-4-2-8(1)10-14-13-9-7-12-5-6-15(9)10/h1-4,12H,5-7H2
InChIKeyGNZXCVATTPQTRU-UHFFFAOYSA-N
XLogP0.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62587692) is 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is c1cc(-c2nnc3n2CCNC3)ccn1.
What is the InChIKey of 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GNZXCVATTPQTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-3-11-4-2-8(1)10-14-13-9-7-12-5-6-15(9)10/h1-4,12H,5-7H2.
What are the key properties of 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 201.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62587692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).