1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile

C11H11N3 — CID 170925735

IUPAC1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
SMILESN#Cc1cnc2c(c1)C1CCN2CC1
InChIInChI=1S/C11H11N3/c12-6-8-5-10-9-1-3-14(4-2-9)11(10)13-7-8/h5,7,9H,1-4H2
InChIKeyNWKLNPARRFJGFV-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.65
Rot. Bonds

About 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile

1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile (PubChem CID 170925735) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile.

Molecular Properties

Compound Name1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
PubChem CID170925735
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
SMILESN#Cc1cnc2c(c1)C1CCN2CC1
InChIInChI=1S/C11H11N3/c12-6-8-5-10-9-1-3-14(4-2-9)11(10)13-7-8/h5,7,9H,1-4H2
InChIKeyNWKLNPARRFJGFV-UHFFFAOYSA-N
XLogP1.65
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130
6-amino-5-cyclopropylpyridine-3-carbonitrile
CID 130050388
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481
5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343448
5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154882666
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
CID 177335038
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010
methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
CID 170906680
5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 134160931
6-(4-acetylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103470116

Frequently Asked Questions

What is the IUPAC name of 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile?
The IUPAC name of 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile (CID 170925735) is 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile.
What is the SMILES notation for 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile?
The canonical SMILES for 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile is N#Cc1cnc2c(c1)C1CCN2CC1.
What is the InChIKey of 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile?
The InChIKey is NWKLNPARRFJGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-6-8-5-10-9-1-3-14(4-2-9)11(10)13-7-8/h5,7,9H,1-4H2.
What are the key properties of 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile?
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile is sourced from PubChem (CID 170925735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).