5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene

C17H19N5 — CID 143412679

IUPAC5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene
SMILESC=c1cnn(C)/c1=C/c1c[nH]c2c1CCCc1c-2n[nH]c1C
InChIInChI=1S/C17H19N5/c1-10-8-19-22(3)15(10)7-12-9-18-16-14(12)6-4-5-13-11(2)20-21-17(13)16/h7-9,18H,1,4-6H2,2-3H3,(H,20,21)/b15-7+
InChIKeyIUMINMHSIOIEES-VIZOYTHASA-N
MW293.37 g/mol
LogP1.17
Rot. Bonds1

About 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene

5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene (PubChem CID 143412679) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene.

Molecular Properties

Compound Name5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene
PubChem CID143412679
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene
SMILESC=c1cnn(C)/c1=C/c1c[nH]c2c1CCCc1c-2n[nH]c1C
InChIInChI=1S/C17H19N5/c1-10-8-19-22(3)15(10)7-12-9-18-16-14(12)6-4-5-13-11(2)20-21-17(13)16/h7-9,18H,1,4-6H2,2-3H3,(H,20,21)/b15-7+
InChIKeyIUMINMHSIOIEES-VIZOYTHASA-N
XLogP1.17
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene?
The IUPAC name of 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene (CID 143412679) is 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene.
What is the SMILES notation for 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene?
The canonical SMILES for 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene is C=c1cnn(C)/c1=C/c1c[nH]c2c1CCCc1c-2n[nH]c1C.
What is the InChIKey of 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene?
The InChIKey is IUMINMHSIOIEES-VIZOYTHASA-N. The full InChI is InChI=1S/C17H19N5/c1-10-8-19-22(3)15(10)7-12-9-18-16-14(12)6-4-5-13-11(2)20-21-17(13)16/h7-9,18H,1,4-6H2,2-3H3,(H,20,21)/b15-7+.
What are the key properties of 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene?
5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene has a molecular weight of 293.37 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-[(E)-(2-methyl-4-methylidenepyrazol-3-ylidene)methyl]-3,4,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,5,11-tetraene is sourced from PubChem (CID 143412679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).