6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C13H14N4O2 — CID 39313506

IUPAC6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C13H14N4O2/c1-9(2)16-12(18)14-11-8-15(13(19)17(11)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyLMTNDAKMNGNQOX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.61
Rot. Bonds2

About 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 39313506) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID39313506
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C13H14N4O2/c1-9(2)16-12(18)14-11-8-15(13(19)17(11)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyLMTNDAKMNGNQOX-UHFFFAOYSA-N
XLogP1.61
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 39354803
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CID 45496053
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CID 39040585
CID 39040585
CID 39314601
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CID 39332239
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CID 39333164
CID 39333164

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 39313506) is 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)n1c(=O)nc2n1C(=O)N(c1ccccc1)C2.
What is the InChIKey of 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is LMTNDAKMNGNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(2)16-12(18)14-11-8-15(13(19)17(11)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 258.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 39313506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).