2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene

C16H10N4 — CID 135513359

IUPAC2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene
SMILESc1ccc2c(c1)nc1cc3c4ccccc4[nH]nc3n12
InChIInChI=1S/C16H10N4/c1-2-6-12-10(5-1)11-9-15-17-13-7-3-4-8-14(13)20(15)16(11)19-18-12/h1-9,18H
InChIKeyRTEUCMFCSATBLE-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.52
Rot. Bonds

About 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene

2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene (PubChem CID 135513359) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene
PubChem CID135513359
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene
SMILESc1ccc2c(c1)nc1cc3c4ccccc4[nH]nc3n12
InChIInChI=1S/C16H10N4/c1-2-6-12-10(5-1)11-9-15-17-13-7-3-4-8-14(13)20(15)16(11)19-18-12/h1-9,18H
InChIKeyRTEUCMFCSATBLE-UHFFFAOYSA-N
XLogP3.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene 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

2,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14,16,18-nonaene-11-carbonitrile
CID 169224034
2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432306
5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
CID 134222641
1-(1H-indazol-3-yl)benzotriazole
CID 45104174
2,9-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,14,16,18,20-decaene
CID 11054668
1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene
CID 57352364
3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432144
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11,13,15,18,20,22,24,26,28-tetradecaene
CID 139436188
2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
CID 10750979

Frequently Asked Questions

What is the IUPAC name of 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene (CID 135513359) is 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene is c1ccc2c(c1)nc1cc3c4ccccc4[nH]nc3n12.
What is the InChIKey of 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene?
The InChIKey is RTEUCMFCSATBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-2-6-12-10(5-1)11-9-15-17-13-7-3-4-8-14(13)20(15)16(11)19-18-12/h1-9,18H.
What are the key properties of 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene?
2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene has a molecular weight of 258.28 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 135513359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).