3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene

C14H10N4 — CID 137084077

IUPAC3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene
SMILESC1=CC2=c3nc[nH]c3=c3ccccc3=NC2N=C1
InChIInChI=1S/C14H10N4/c1-2-6-11-9(4-1)12-13(17-8-16-12)10-5-3-7-15-14(10)18-11/h1-8,14H,(H,16,17)
InChIKeyDUZHSQXBIQEKSZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.45
Rot. Bonds

About 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene

3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene (PubChem CID 137084077) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene.

Molecular Properties

Compound Name3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene
PubChem CID137084077
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene
SMILESC1=CC2=c3nc[nH]c3=c3ccccc3=NC2N=C1
InChIInChI=1S/C14H10N4/c1-2-6-11-9(4-1)12-13(17-8-16-12)10-5-3-7-15-14(10)18-11/h1-8,14H,(H,16,17)
InChIKeyDUZHSQXBIQEKSZ-UHFFFAOYSA-N
XLogP0.45
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene 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

Pyrazinopyridoindole
CID 137213827
Indenopyridopyrimidine
CID 156600129
4,6,12-Triazatricyclo[7.6.0.03,7]pentadeca-1(15),2,5,7,9,11,13-heptaene
CID 77499035
5,7-dihydro-3H-imidazo[4,5-h]quinoline
CID 91158672
7-[(Z)-1-iminobut-2-en-2-yl]-N-methyl-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132038710
4-methyl-3H-pyrrolo[3,2-g]quinazoline
CID 136165647
Isoindoloquinazoline
CID 136361130
3,5,9,13,15-Pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1,3,6,8,10,12,15,17-octaene
CID 136606780
3,5,10,13,15-Pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1,3,6,8,10,12,15,17-octaene
CID 136606784
6H-pyrimido[5,4-d][2]benzazepin-2-amine
CID 145790164
2,10,12-Triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene
CID 172758593
6H-imidazo[4,5-b][1,7]naphthyridin-5-ylmethanamine
CID 136310286

Frequently Asked Questions

What is the IUPAC name of 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene?
The IUPAC name of 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene (CID 137084077) is 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene.
What is the SMILES notation for 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene?
The canonical SMILES for 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene is C1=CC2=c3nc[nH]c3=c3ccccc3=NC2N=C1.
What is the InChIKey of 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene?
The InChIKey is DUZHSQXBIQEKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-6-11-9(4-1)12-13(17-8-16-12)10-5-3-7-15-14(10)18-11/h1-8,14H,(H,16,17).
What are the key properties of 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene?
3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene has a molecular weight of 234.26 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,11,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1,4,6,8,10,13,15,17-octaene is sourced from PubChem (CID 137084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).