13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

C10H14N4O2 — CID 155366696

IUPAC13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESCN1OCCn2nc3c(c2C1=O)CNCC3
InChIInChI=1S/C10H14N4O2/c1-13-10(15)9-7-6-11-3-2-8(7)12-14(9)4-5-16-13/h11H,2-6H2,1H3
InChIKeyZGOGSWDPGLTLBX-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.45
Rot. Bonds

About 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (PubChem CID 155366696) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.

Molecular Properties

Compound Name13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
PubChem CID155366696
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESCN1OCCn2nc3c(c2C1=O)CNCC3
InChIInChI=1S/C10H14N4O2/c1-13-10(15)9-7-6-11-3-2-8(7)12-14(9)4-5-16-13/h11H,2-6H2,1H3
InChIKeyZGOGSWDPGLTLBX-UHFFFAOYSA-N
XLogP-0.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The IUPAC name of 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (CID 155366696) is 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.
What is the SMILES notation for 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The canonical SMILES for 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is CN1OCCn2nc3c(c2C1=O)CNCC3.
What is the InChIKey of 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The InChIKey is ZGOGSWDPGLTLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-10(15)9-7-6-11-3-2-8(7)12-14(9)4-5-16-13/h11H,2-6H2,1H3.
What are the key properties of 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one has a molecular weight of 222.25 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is sourced from PubChem (CID 155366696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).