(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol

C18H18N4O — CID 11483596

IUPAC(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol
SMILESOCc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1
InChIInChI=1S/C18H18N4O/c23-10-14-15-11-6-8-12(9-7-11)16(15)18-20-19-17(22(18)21-14)13-4-2-1-3-5-13/h1-5,11-12,23H,6-10H2
InChIKeyRSDOHEWPQNVNHK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.04
Rot. Bonds2

About (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol

(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol (PubChem CID 11483596) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol.

Molecular Properties

Compound Name(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol
PubChem CID11483596
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol
SMILESOCc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1
InChIInChI=1S/C18H18N4O/c23-10-14-15-11-6-8-12(9-7-11)16(15)18-20-19-17(22(18)21-14)13-4-2-1-3-5-13/h1-5,11-12,23H,6-10H2
InChIKeyRSDOHEWPQNVNHK-UHFFFAOYSA-N
XLogP3.04
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol?
The IUPAC name of (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol (CID 11483596) is (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol.
What is the SMILES notation for (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol?
The canonical SMILES for (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol is OCc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1.
What is the InChIKey of (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol?
The InChIKey is RSDOHEWPQNVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-10-14-15-11-6-8-12(9-7-11)16(15)18-20-19-17(22(18)21-14)13-4-2-1-3-5-13/h1-5,11-12,23H,6-10H2.
What are the key properties of (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol?
(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol has a molecular weight of 306.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)methanol is sourced from PubChem (CID 11483596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).