9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile

C15H15N3 — CID 117347246

IUPAC9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile
SMILESCn1c2c(c3cc(C#N)ccc31)C1CCN2CC1
InChIInChI=1S/C15H15N3/c1-17-13-3-2-10(9-16)8-12(13)14-11-4-6-18(7-5-11)15(14)17/h2-3,8,11H,4-7H2,1H3
InChIKeyOIMJTZQUXCGCHA-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.75
Rot. Bonds

About 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile

9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile (PubChem CID 117347246) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile.

Molecular Properties

Compound Name9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile
PubChem CID117347246
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile
SMILESCn1c2c(c3cc(C#N)ccc31)C1CCN2CC1
InChIInChI=1S/C15H15N3/c1-17-13-3-2-10(9-16)8-12(13)14-11-4-6-18(7-5-11)15(14)17/h2-3,8,11H,4-7H2,1H3
InChIKeyOIMJTZQUXCGCHA-UHFFFAOYSA-N
XLogP2.75
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile?
The IUPAC name of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile (CID 117347246) is 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile.
What is the SMILES notation for 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile?
The canonical SMILES for 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile is Cn1c2c(c3cc(C#N)ccc31)C1CCN2CC1.
What is the InChIKey of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile?
The InChIKey is OIMJTZQUXCGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-17-13-3-2-10(9-16)8-12(13)14-11-4-6-18(7-5-11)15(14)17/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile?
9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-5-carbonitrile is sourced from PubChem (CID 117347246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).