5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C16H15N5O — CID 122446310

IUPAC5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOCc1cc2[nH]c3nc(-c4cnn(C)c4)ccc3c2cn1
InChIInChI=1S/C16H15N5O/c1-21-8-10(6-18-21)14-4-3-12-13-7-17-11(9-22-2)5-15(13)20-16(12)19-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyFPTITWBQLLNPFU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.66
Rot. Bonds3

About 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 122446310) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID122446310
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOCc1cc2[nH]c3nc(-c4cnn(C)c4)ccc3c2cn1
InChIInChI=1S/C16H15N5O/c1-21-8-10(6-18-21)14-4-3-12-13-7-17-11(9-22-2)5-15(13)20-16(12)19-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyFPTITWBQLLNPFU-UHFFFAOYSA-N
XLogP2.66
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 122446310) is 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is COCc1cc2[nH]c3nc(-c4cnn(C)c4)ccc3c2cn1.
What is the InChIKey of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FPTITWBQLLNPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-8-10(6-18-21)14-4-3-12-13-7-17-11(9-22-2)5-15(13)20-16(12)19-14/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 293.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 122446310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).