11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene

C16H16N4 — CID 136840865

IUPAC11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
SMILESCc1ccc2c3n(nc2n1)C(c1ccccc1)CCN3
InChIInChI=1S/C16H16N4/c1-11-7-8-13-15(18-11)19-20-14(9-10-17-16(13)20)12-5-3-2-4-6-12/h2-8,14,17H,9-10H2,1H3
InChIKeyNUJMFPRSJAAKSI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.14
Rot. Bonds1

About 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene

11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene (PubChem CID 136840865) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene.

Molecular Properties

Compound Name11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
PubChem CID136840865
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
SMILESCc1ccc2c3n(nc2n1)C(c1ccccc1)CCN3
InChIInChI=1S/C16H16N4/c1-11-7-8-13-15(18-11)19-20-14(9-10-17-16(13)20)12-5-3-2-4-6-12/h2-8,14,17H,9-10H2,1H3
InChIKeyNUJMFPRSJAAKSI-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(11-methyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-6-yl)aniline
CID 136840867
14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene
CID 137012230
6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
CID 136840841
3-bromo-2-butyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841681
6-thiophen-3-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
CID 137012222
7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137011955
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136840782
2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837982
4-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-8-amine
CID 136841492
7-(4-ethylphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838108
2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 141404090
3-(8-fluoro-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-4-yl)aniline
CID 136841353

Frequently Asked Questions

What is the IUPAC name of 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
The IUPAC name of 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene (CID 136840865) is 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene.
What is the SMILES notation for 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
The canonical SMILES for 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene is Cc1ccc2c3n(nc2n1)C(c1ccccc1)CCN3.
What is the InChIKey of 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
The InChIKey is NUJMFPRSJAAKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-7-8-13-15(18-11)19-20-14(9-10-17-16(13)20)12-5-3-2-4-6-12/h2-8,14,17H,9-10H2,1H3.
What are the key properties of 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene has a molecular weight of 264.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene is sourced from PubChem (CID 136840865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).