5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene

C14H15N3 — CID 137153172

IUPAC5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene
SMILESC=Cc1c(/C=C\C)[nH]c2c1CCn1nccc1-2
InChIInChI=1S/C14H15N3/c1-3-5-12-10(4-2)11-7-9-17-13(6-8-15-17)14(11)16-12/h3-6,8,16H,2,7,9H2,1H3/b5-3-
InChIKeyYBKOSFAQOHKQPJ-HYXAFXHYSA-N
MW225.29 g/mol
LogP3.11
Rot. Bonds2

About 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene

5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene (PubChem CID 137153172) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene.

Molecular Properties

Compound Name5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene
PubChem CID137153172
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene
SMILESC=Cc1c(/C=C\C)[nH]c2c1CCn1nccc1-2
InChIInChI=1S/C14H15N3/c1-3-5-12-10(4-2)11-7-9-17-13(6-8-15-17)14(11)16-12/h3-6,8,16H,2,7,9H2,1H3/b5-3-
InChIKeyYBKOSFAQOHKQPJ-HYXAFXHYSA-N
XLogP3.11
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene?
The IUPAC name of 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene (CID 137153172) is 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene.
What is the SMILES notation for 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene?
The canonical SMILES for 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene is C=Cc1c(/C=C\C)[nH]c2c1CCn1nccc1-2.
What is the InChIKey of 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene?
The InChIKey is YBKOSFAQOHKQPJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-5-12-10(4-2)11-7-9-17-13(6-8-15-17)14(11)16-12/h3-6,8,16H,2,7,9H2,1H3/b5-3-.
What are the key properties of 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene?
5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene has a molecular weight of 225.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(Z)-prop-1-enyl]-3,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraene is sourced from PubChem (CID 137153172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).