(7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene

C14H14N4 — CID 123732458

IUPAC(7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene
SMILESC/C=C1\C=N/Cc2ccccc2-c2nnn(C)c21
InChIInChI=1S/C14H14N4/c1-3-10-8-15-9-11-6-4-5-7-12(11)13-14(10)18(2)17-16-13/h3-8H,9H2,1-2H3/b10-3+,15-8-
InChIKeyCPTRTMUGMHGCAC-CPNQBIQPSA-N
MW238.29 g/mol
LogP2.47
Rot. Bonds

About (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene

(7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene (PubChem CID 123732458) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene.

Molecular Properties

Compound Name(7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene
PubChem CID123732458
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name(7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene
SMILESC/C=C1\C=N/Cc2ccccc2-c2nnn(C)c21
InChIInChI=1S/C14H14N4/c1-3-10-8-15-9-11-6-4-5-7-12(11)13-14(10)18(2)17-16-13/h3-8H,9H2,1-2H3/b10-3+,15-8-
InChIKeyCPTRTMUGMHGCAC-CPNQBIQPSA-N
XLogP2.47
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene with MolForge

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Related Compounds

13-fluoro-5-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
CID 129301875
3,13-dimethyl-3,4,5-triaza-13-boratetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaene
CID 174019778
5,13-dimethyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene;propane
CID 153397893
1-(3-methyl-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl)ethanone
CID 122647222
1H-isoquinolin-4-one
CID 19881266
5-iodo-3,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaene
CID 174332589
1-phenyl-5H-triazolo[5,1-a]isoindole
CID 101373390
4-methyl-7H-benzo[d][2]benzazepine
CID 102223259
(7Z)-7,8-bis(ethenyl)-3,9-dimethyl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;ethane;propane
CID 170771398
5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
CID 177453085
ethane;formaldehyde;3,13,17-trimethyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(15),2(6),4,7,9,11,16,18-octaene
CID 142383787
5-propan-2-yl-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-amine
CID 166649921

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene?
The IUPAC name of (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene (CID 123732458) is (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene.
What is the SMILES notation for (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene?
The canonical SMILES for (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene is C/C=C1\C=N/Cc2ccccc2-c2nnn(C)c21.
What is the InChIKey of (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene?
The InChIKey is CPTRTMUGMHGCAC-CPNQBIQPSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-10-8-15-9-11-6-4-5-7-12(11)13-14(10)18(2)17-16-13/h3-8H,9H2,1-2H3/b10-3+,15-8-.
What are the key properties of (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene?
(7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene has a molecular weight of 238.29 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethylidene-5-methyl-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,8,11,13-hexaene is sourced from PubChem (CID 123732458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).