4-(triazin-4-ylmethyl)benzonitrile

C11H8N4 — CID 175415870

IUPAC4-(triazin-4-ylmethyl)benzonitrile
SMILESN#Cc1ccc(Cc2ccnnn2)cc1
InChIInChI=1S/C11H8N4/c12-8-10-3-1-9(2-4-10)7-11-5-6-13-15-14-11/h1-6H,7H2
InChIKeyVKGWZDGDMYBNEY-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.33
Rot. Bonds2

About 4-(triazin-4-ylmethyl)benzonitrile

4-(triazin-4-ylmethyl)benzonitrile (PubChem CID 175415870) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(triazin-4-ylmethyl)benzonitrile.

Molecular Properties

Compound Name4-(triazin-4-ylmethyl)benzonitrile
PubChem CID175415870
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name4-(triazin-4-ylmethyl)benzonitrile
SMILESN#Cc1ccc(Cc2ccnnn2)cc1
InChIInChI=1S/C11H8N4/c12-8-10-3-1-9(2-4-10)7-11-5-6-13-15-14-11/h1-6H,7H2
InChIKeyVKGWZDGDMYBNEY-UHFFFAOYSA-N
XLogP1.33
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
CID 166687753
6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide
CID 59717870
4-ethyltriazine
CID 18681208
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(4-oxo-3H-pyridin-2-yl)methyl]benzonitrile
CID 149350761
4-[(2-bromo-4-pyridinyl)methyl]benzonitrile
CID 156871097
4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222
4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile
CID 70196230
4-(imidazo[1,2-a]pyridin-2-ylmethyl)benzonitrile
CID 102282894
4-[2-(methylamino)ethyl]benzonitrile;hydrochloride
CID 134690729
4-[[3-[[2-[(4-cyanophenyl)methyl]-3-pyridinyl]sulfanyl]-2-pyridinyl]methyl]benzonitrile
CID 141479318

Frequently Asked Questions

What is the IUPAC name of 4-(triazin-4-ylmethyl)benzonitrile?
The IUPAC name of 4-(triazin-4-ylmethyl)benzonitrile (CID 175415870) is 4-(triazin-4-ylmethyl)benzonitrile.
What is the SMILES notation for 4-(triazin-4-ylmethyl)benzonitrile?
The canonical SMILES for 4-(triazin-4-ylmethyl)benzonitrile is N#Cc1ccc(Cc2ccnnn2)cc1.
What is the InChIKey of 4-(triazin-4-ylmethyl)benzonitrile?
The InChIKey is VKGWZDGDMYBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-8-10-3-1-9(2-4-10)7-11-5-6-13-15-14-11/h1-6H,7H2.
What are the key properties of 4-(triazin-4-ylmethyl)benzonitrile?
4-(triazin-4-ylmethyl)benzonitrile has a molecular weight of 196.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazin-4-ylmethyl)benzonitrile is sourced from PubChem (CID 175415870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).