8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene

C15H15N5 — CID 15468412

IUPAC8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene
SMILESCC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12
InChIInChI=1S/C15H15N5/c1-11-18-15-13(14-16-8-5-9-19(11)14)10-17-20(15)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPTHXIOZEIUDDSJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.39
Rot. Bonds1

About 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene

8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene (PubChem CID 15468412) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene.

Molecular Properties

Compound Name8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene
PubChem CID15468412
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene
SMILESCC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12
InChIInChI=1S/C15H15N5/c1-11-18-15-13(14-16-8-5-9-19(11)14)10-17-20(15)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPTHXIOZEIUDDSJ-UHFFFAOYSA-N
XLogP2.39
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenylpyrazol-5-ylamine
CID 70006
1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135408736
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 688685
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
CID 79256
4-allyl-5-(5-amino-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 2813625
(R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
CID 15667142
Pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-allyl-6-methyl-1-phenyl-
CID 535047
5-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 706707
1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135600410
2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
CID 230942
5-(5-amino-1-phenyl-1H-pyrazol-4-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 848885
3-methyl-1-phenyl-5-(1-piperidinyl)-1H-pyrazole-4-carbaldehyde oxime
CID 5342120

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene?
The IUPAC name of 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene (CID 15468412) is 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene.
What is the SMILES notation for 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene?
The canonical SMILES for 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene is CC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12.
What is the InChIKey of 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene?
The InChIKey is PTHXIOZEIUDDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-18-15-13(14-16-8-5-9-19(11)14)10-17-20(15)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene?
8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene has a molecular weight of 265.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene is sourced from PubChem (CID 15468412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).