3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

C11H14N4O — CID 13374672

IUPAC3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESC#CCN1CCn2c1nnc(C(C)C)c2=O
InChIInChI=1S/C11H14N4O/c1-4-5-14-6-7-15-10(16)9(8(2)3)12-13-11(14)15/h1,8H,5-7H2,2-3H3
InChIKeyLJJFEQVYCVQRCV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.21
Rot. Bonds2

About 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 13374672) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID13374672
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESC#CCN1CCn2c1nnc(C(C)C)c2=O
InChIInChI=1S/C11H14N4O/c1-4-5-14-6-7-15-10(16)9(8(2)3)12-13-11(14)15/h1,8H,5-7H2,2-3H3
InChIKeyLJJFEQVYCVQRCV-UHFFFAOYSA-N
XLogP0.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 13374672) is 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is C#CCN1CCn2c1nnc(C(C)C)c2=O.
What is the InChIKey of 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is LJJFEQVYCVQRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-5-14-6-7-15-10(16)9(8(2)3)12-13-11(14)15/h1,8H,5-7H2,2-3H3.
What are the key properties of 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 218.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13374672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).