10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C9H7N5 — CID 143757781

IUPAC10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESC=Cn1ncc2c1N=CC1N=CN=C21
InChIInChI=1S/C9H7N5/c1-2-14-9-6(3-13-14)8-7(4-10-9)11-5-12-8/h2-5,7H,1H2
InChIKeyQRPNVRBYTRCKDJ-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.90
Rot. Bonds1

About 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 143757781) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID143757781
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESC=Cn1ncc2c1N=CC1N=CN=C21
InChIInChI=1S/C9H7N5/c1-2-14-9-6(3-13-14)8-7(4-10-9)11-5-12-8/h2-5,7H,1H2
InChIKeyQRPNVRBYTRCKDJ-UHFFFAOYSA-N
XLogP0.90
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

2,6-Dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
CID 90364017
2,5-Dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
CID 90364024
N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine
CID 143440225
10-Propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine
CID 143757773
1-cyclopentyl-5-methyl-4H-pyrrolo[3,2-d]pyrazole
CID 148218076
5-methyl-1-propan-2-yl-4H-pyrrolo[3,2-d]pyrazole
CID 157992803
1-(1-Methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine
CID 163938609
5-Ethyl-8-propan-2-yl-3lambda3-ioda-2,4,8,9-tetrazabicyclo[4.3.0]nona-1(9),2,4,6-tetraene
CID 165130613

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 143757781) is 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is C=Cn1ncc2c1N=CC1N=CN=C21.
What is the InChIKey of 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is QRPNVRBYTRCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-14-9-6(3-13-14)8-7(4-10-9)11-5-12-8/h2-5,7H,1H2.
What are the key properties of 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 185.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 143757781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).