2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile

C11H15N5O — CID 13374693

IUPAC2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile
SMILESCC(C)(C)c1nnc2n(c1=O)CCN2CC#N
InChIInChI=1S/C11H15N5O/c1-11(2,3)8-9(17)16-7-6-15(5-4-12)10(16)14-13-8/h5-7H2,1-3H3
InChIKeyRUXBOMNWIKSQEA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.28
Rot. Bonds1

About 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile

2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile (PubChem CID 13374693) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile
PubChem CID13374693
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile
SMILESCC(C)(C)c1nnc2n(c1=O)CCN2CC#N
InChIInChI=1S/C11H15N5O/c1-11(2,3)8-9(17)16-7-6-15(5-4-12)10(16)14-13-8/h5-7H2,1-3H3
InChIKeyRUXBOMNWIKSQEA-UHFFFAOYSA-N
XLogP0.28
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Tert-butyl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374639
8-Methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374661
3-Propan-2-yl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374672
3-Tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374692
3-Tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374695

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile?
The IUPAC name of 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile (CID 13374693) is 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile.
What is the SMILES notation for 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile?
The canonical SMILES for 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile is CC(C)(C)c1nnc2n(c1=O)CCN2CC#N.
What is the InChIKey of 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile?
The InChIKey is RUXBOMNWIKSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2,3)8-9(17)16-7-6-15(5-4-12)10(16)14-13-8/h5-7H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile?
2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile is sourced from PubChem (CID 13374693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).