7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C8H10N4 — CID 130652137

IUPAC7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESC#CCN1CCn2ncnc2C1
InChIInChI=1S/C8H10N4/c1-2-3-11-4-5-12-8(6-11)9-7-10-12/h1,7H,3-6H2
InChIKeyFTQYAEHMSMIDSW-UHFFFAOYSA-N
MW162.20 g/mol
LogP-0.27
Rot. Bonds1

About 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 130652137) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID130652137
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESC#CCN1CCn2ncnc2C1
InChIInChI=1S/C8H10N4/c1-2-3-11-4-5-12-8(6-11)9-7-10-12/h1,7H,3-6H2
InChIKeyFTQYAEHMSMIDSW-UHFFFAOYSA-N
XLogP-0.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 130652137) is 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is C#CCN1CCn2ncnc2C1.
What is the InChIKey of 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is FTQYAEHMSMIDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-3-11-4-5-12-8(6-11)9-7-10-12/h1,7H,3-6H2.
What are the key properties of 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 162.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-ynyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 130652137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).