5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

C14H10N4 — CID 163691592

IUPAC5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
SMILESc1cc2[nH]c3cc4c(cc3c2[nH]1)[nH]c1cc[nH]c14
InChIInChI=1S/C14H10N4/c1-3-15-13-7-5-12-8(6-11(7)17-9(1)13)14-10(18-12)2-4-16-14/h1-6,15-18H
InChIKeyJTKQUPODJVIWKP-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.61
Rot. Bonds

About 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (PubChem CID 163691592) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.

Molecular Properties

Compound Name5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
PubChem CID163691592
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
SMILESc1cc2[nH]c3cc4c(cc3c2[nH]1)[nH]c1cc[nH]c14
InChIInChI=1S/C14H10N4/c1-3-15-13-7-5-12-8(6-11(7)17-9(1)13)14-10(18-12)2-4-16-14/h1-6,15-18H
InChIKeyJTKQUPODJVIWKP-UHFFFAOYSA-N
XLogP3.61
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The IUPAC name of 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (CID 163691592) is 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.
What is the SMILES notation for 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The canonical SMILES for 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is c1cc2[nH]c3cc4c(cc3c2[nH]1)[nH]c1cc[nH]c14.
What is the InChIKey of 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The InChIKey is JTKQUPODJVIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-3-15-13-7-5-12-8(6-11(7)17-9(1)13)14-10(18-12)2-4-16-14/h1-6,15-18H.
What are the key properties of 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene has a molecular weight of 234.26 g/mol, XLogP of 3.61, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is sourced from PubChem (CID 163691592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).