4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine

C11H15N3 — CID 129167638

IUPAC4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine
SMILESC=c1ncccc(=C)[nH]c(C(C)C)n1
InChIInChI=1S/C11H15N3/c1-8(2)11-13-9(3)6-5-7-12-10(4)14-11/h5-8H,3-4H2,1-2H3,(H,13,14)/b6-5-,12-7-
InChIKeyRLYNYCUGERILEZ-VZVVJSHISA-N
MW189.26 g/mol
LogP0.87
Rot. Bonds1

About 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine

4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine (PubChem CID 129167638) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine.

Molecular Properties

Compound Name4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine
PubChem CID129167638
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine
SMILESC=c1ncccc(=C)[nH]c(C(C)C)n1
InChIInChI=1S/C11H15N3/c1-8(2)11-13-9(3)6-5-7-12-10(4)14-11/h5-8H,3-4H2,1-2H3,(H,13,14)/b6-5-,12-7-
InChIKeyRLYNYCUGERILEZ-VZVVJSHISA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine?
The IUPAC name of 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine (CID 129167638) is 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine.
What is the SMILES notation for 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine?
The canonical SMILES for 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine is C=c1ncccc(=C)[nH]c(C(C)C)n1.
What is the InChIKey of 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine?
The InChIKey is RLYNYCUGERILEZ-VZVVJSHISA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)11-13-9(3)6-5-7-12-10(4)14-11/h5-8H,3-4H2,1-2H3,(H,13,14)/b6-5-,12-7-.
What are the key properties of 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine?
4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine has a molecular weight of 189.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethylidene-2-propan-2-yl-1H-1,3,5-triazonine is sourced from PubChem (CID 129167638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).