(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene

C19H24N4 — CID 176682029

IUPAC(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene
SMILESC=C/C1=C(\C=C)C2C(N=NN2C)c2ccccc2N(C(C)C)C1
InChIInChI=1S/C19H24N4/c1-6-14-12-23(13(3)4)17-11-9-8-10-16(17)18-19(15(14)7-2)22(5)21-20-18/h6-11,13,18-19H,1-2,12H2,3-5H3/b15-14-
InChIKeyLNLYHUFTVOSDPO-PFONDFGASA-N
MW308.43 g/mol
LogP4.31
Rot. Bonds3

About (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene

(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene (PubChem CID 176682029) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene.

Molecular Properties

Compound Name(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene
PubChem CID176682029
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene
SMILESC=C/C1=C(\C=C)C2C(N=NN2C)c2ccccc2N(C(C)C)C1
InChIInChI=1S/C19H24N4/c1-6-14-12-23(13(3)4)17-11-9-8-10-16(17)18-19(15(14)7-2)22(5)21-20-18/h6-11,13,18-19H,1-2,12H2,3-5H3/b15-14-
InChIKeyLNLYHUFTVOSDPO-PFONDFGASA-N
XLogP4.31
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene?
The IUPAC name of (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene (CID 176682029) is (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene.
What is the SMILES notation for (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene?
The canonical SMILES for (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene is C=C/C1=C(\C=C)C2C(N=NN2C)c2ccccc2N(C(C)C)C1.
What is the InChIKey of (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene?
The InChIKey is LNLYHUFTVOSDPO-PFONDFGASA-N. The full InChI is InChI=1S/C19H24N4/c1-6-14-12-23(13(3)4)17-11-9-8-10-16(17)18-19(15(14)7-2)22(5)21-20-18/h6-11,13,18-19H,1-2,12H2,3-5H3/b15-14-.
What are the key properties of (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene?
(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene has a molecular weight of 308.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene is sourced from PubChem (CID 176682029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).