4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile

C16H19N3 — CID 134279572

IUPAC4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
SMILESN#CC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13
InChIInChI=1S/C16H19N3/c17-9-13-8-15(11-4-5-11)14-3-1-2-12-10-18-6-7-19(13)16(12)14/h2,8,11,15,18H,1,3-7,10H2
InChIKeyDPUSRZHAAJZQQP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.31
Rot. Bonds1

About 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile

4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile (PubChem CID 134279572) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
PubChem CID134279572
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
SMILESN#CC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13
InChIInChI=1S/C16H19N3/c17-9-13-8-15(11-4-5-11)14-3-1-2-12-10-18-6-7-19(13)16(12)14/h2,8,11,15,18H,1,3-7,10H2
InChIKeyDPUSRZHAAJZQQP-UHFFFAOYSA-N
XLogP2.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile with MolForge

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Related Compounds

4-(2,2-Difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279615
4-Cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279559
4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279574
(4S)-4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279583
(4R)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279591
(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279603
4-Cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279626
(4R)-4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279640
2-[(4aS)-7-(azepan-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
CID 2319315
2-[(4aR)-7-(azepan-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
CID 2319317

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile?
The IUPAC name of 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile (CID 134279572) is 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile?
The canonical SMILES for 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile is N#CC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13.
What is the InChIKey of 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile?
The InChIKey is DPUSRZHAAJZQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-9-13-8-15(11-4-5-11)14-3-1-2-12-10-18-6-7-19(13)16(12)14/h2,8,11,15,18H,1,3-7,10H2.
What are the key properties of 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile?
4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile is sourced from PubChem (CID 134279572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).