1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one

C10H14N4O — CID 176702522

IUPAC1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCn2nncc2C1(C)C
InChIInChI=1S/C10H14N4O/c1-4-9(15)13-5-6-14-8(7-11-12-14)10(13,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyFVDQBGBTXILUQS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.54
Rot. Bonds1

About 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one

1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (PubChem CID 176702522) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
PubChem CID176702522
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCn2nncc2C1(C)C
InChIInChI=1S/C10H14N4O/c1-4-9(15)13-5-6-14-8(7-11-12-14)10(13,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyFVDQBGBTXILUQS-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The IUPAC name of 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (CID 176702522) is 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is C=CC(=O)N1CCn2nncc2C1(C)C.
What is the InChIKey of 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The InChIKey is FVDQBGBTXILUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-9(15)13-5-6-14-8(7-11-12-14)10(13,2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one has a molecular weight of 206.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 176702522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).