5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

C15H20N6O — CID 155342828

IUPAC5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESCC1Cc2nn3c(c2CN1)C(=O)N(C)CC(c1ccn[nH]1)C3
InChIInChI=1S/C15H20N6O/c1-9-5-13-11(6-16-9)14-15(22)20(2)7-10(8-21(14)19-13)12-3-4-17-18-12/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyPWFGTUCIFGPYMH-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.51
Rot. Bonds1

About 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (PubChem CID 155342828) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.

Molecular Properties

Compound Name5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
PubChem CID155342828
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESCC1Cc2nn3c(c2CN1)C(=O)N(C)CC(c1ccn[nH]1)C3
InChIInChI=1S/C15H20N6O/c1-9-5-13-11(6-16-9)14-15(22)20(2)7-10(8-21(14)19-13)12-3-4-17-18-12/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyPWFGTUCIFGPYMH-UHFFFAOYSA-N
XLogP0.51
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The IUPAC name of 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (CID 155342828) is 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.
What is the SMILES notation for 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The canonical SMILES for 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is CC1Cc2nn3c(c2CN1)C(=O)N(C)CC(c1ccn[nH]1)C3.
What is the InChIKey of 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The InChIKey is PWFGTUCIFGPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-5-13-11(6-16-9)14-15(22)20(2)7-10(8-21(14)19-13)12-3-4-17-18-12/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one has a molecular weight of 300.37 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is sourced from PubChem (CID 155342828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).