3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene

C7H3N3 — CID 172544070

IUPAC3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene
SMILESc1nc2c3cncc-3c-2n1
InChIInChI=1S/C7H3N3/c1-4-5(2-8-1)7-6(4)9-3-10-7/h1-3H
InChIKeyFFYDNNSCKZEDBV-UHFFFAOYSA-N
MW129.12 g/mol
LogP0.96
Rot. Bonds

About 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene

3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene (PubChem CID 172544070) has the molecular formula C7H3N3 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene
PubChem CID172544070
Molecular FormulaC7H3N3
Molecular Weight129.12 g/mol
Exact Mass129.03
IUPAC Name3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene
SMILESc1nc2c3cncc-3c-2n1
InChIInChI=1S/C7H3N3/c1-4-5(2-8-1)7-6(4)9-3-10-7/h1-3H
InChIKeyFFYDNNSCKZEDBV-UHFFFAOYSA-N
XLogP0.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene
CID 131852954
3,5-diazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene-9-carbonitrile
CID 172543771
(E)-N-[5-(1H-cyclohepta[b]pyrrol-8-ylideneamino)pyrrolo[3,4-e][1,3]diazepin-1-yl]-1H-cyclohepta[b]pyrrol-8-imine
CID 172544249
4-(4-methyl-3-pyridinyl)pyrimidin-5-amine
CID 82405861
2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
CID 172543714
4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
CID 134507666
4-methylsulfanyl-5-(6-methylsulfanylpyrimidin-4-yl)pyrimidine
CID 616622
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone
CID 19041923
tert-butyl 2-(5-oxofuro[3,4-d]pyrimidin-7-ylidene)acetate
CID 123582450

Frequently Asked Questions

What is the IUPAC name of 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene?
The IUPAC name of 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene (CID 172544070) is 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene.
What is the SMILES notation for 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene?
The canonical SMILES for 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene is c1nc2c3cncc-3c-2n1.
What is the InChIKey of 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene?
The InChIKey is FFYDNNSCKZEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3/c1-4-5(2-8-1)7-6(4)9-3-10-7/h1-3H.
What are the key properties of 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene?
3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene has a molecular weight of 129.12 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene is sourced from PubChem (CID 172544070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).