3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile

C14H13N5 — CID 141130394

IUPAC3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile
SMILESN#Cc1c(C2=CCNCC2)nnn1-c1ccccc1
InChIInChI=1S/C14H13N5/c15-10-13-14(11-6-8-16-9-7-11)17-18-19(13)12-4-2-1-3-5-12/h1-6,16H,7-9H2
InChIKeyLCEMCAZAFHTJSL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.52
Rot. Bonds2

About 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile

3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile (PubChem CID 141130394) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile.

Molecular Properties

Compound Name3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile
PubChem CID141130394
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile
SMILESN#Cc1c(C2=CCNCC2)nnn1-c1ccccc1
InChIInChI=1S/C14H13N5/c15-10-13-14(11-6-8-16-9-7-11)17-18-19(13)12-4-2-1-3-5-12/h1-6,16H,7-9H2
InChIKeyLCEMCAZAFHTJSL-UHFFFAOYSA-N
XLogP1.52
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile?
The IUPAC name of 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile (CID 141130394) is 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile.
What is the SMILES notation for 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile?
The canonical SMILES for 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile is N#Cc1c(C2=CCNCC2)nnn1-c1ccccc1.
What is the InChIKey of 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile?
The InChIKey is LCEMCAZAFHTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-10-13-14(11-6-8-16-9-7-11)17-18-19(13)12-4-2-1-3-5-12/h1-6,16H,7-9H2.
What are the key properties of 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile?
3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile is sourced from PubChem (CID 141130394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).