2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

C15H14N4O2 — CID 154699505

IUPAC2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
SMILESCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1O
InChIInChI=1S/C15H14N4O2/c1-8-4-6-17-14-12(8)18-15(21)9-3-2-5-16-13(9)19(14)10-7-11(10)20/h2-6,10-11,20H,7H2,1H3,(H,18,21)
InChIKeyBFLZKCGARMNKLQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.62
Rot. Bonds1

About 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one (PubChem CID 154699505) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
PubChem CID154699505
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
SMILESCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1O
InChIInChI=1S/C15H14N4O2/c1-8-4-6-17-14-12(8)18-15(21)9-3-2-5-16-13(9)19(14)10-7-11(10)20/h2-6,10-11,20H,7H2,1H3,(H,18,21)
InChIKeyBFLZKCGARMNKLQ-UHFFFAOYSA-N
XLogP1.62
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
The IUPAC name of 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one (CID 154699505) is 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one.
What is the SMILES notation for 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
The canonical SMILES for 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one is Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1O.
What is the InChIKey of 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
The InChIKey is BFLZKCGARMNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-8-4-6-17-14-12(8)18-15(21)9-3-2-5-16-13(9)19(14)10-7-11(10)20/h2-6,10-11,20H,7H2,1H3,(H,18,21).
What are the key properties of 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one has a molecular weight of 282.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one is sourced from PubChem (CID 154699505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).