4-(1,3,5-triazin-2-ylamino)benzonitrile

C10H7N5 — CID 156784005

IUPAC4-(1,3,5-triazin-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ncncn2)cc1
InChIInChI=1S/C10H7N5/c11-5-8-1-3-9(4-2-8)15-10-13-6-12-7-14-10/h1-4,6-7H,(H,12,13,14,15)
InChIKeyWFYFLEGSVWCJPX-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.49
Rot. Bonds2

About 4-(1,3,5-triazin-2-ylamino)benzonitrile

4-(1,3,5-triazin-2-ylamino)benzonitrile (PubChem CID 156784005) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-(1,3,5-triazin-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-(1,3,5-triazin-2-ylamino)benzonitrile
PubChem CID156784005
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name4-(1,3,5-triazin-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ncncn2)cc1
InChIInChI=1S/C10H7N5/c11-5-8-1-3-9(4-2-8)15-10-13-6-12-7-14-10/h1-4,6-7H,(H,12,13,14,15)
InChIKeyWFYFLEGSVWCJPX-UHFFFAOYSA-N
XLogP1.49
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 141441581
4-[(4-formylpyrimidin-2-yl)amino]benzonitrile
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4-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 55220100
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzonitrile
CID 72714702
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
4-(4-iodoanilino)benzonitrile
CID 28976683
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
sodium 4-(1,3,5-triazin-2-ylamino)benzenesulfonate
CID 158422534
6-[[4-(4-cyanoanilino)-1,3,5-triazin-2-yl]amino]-5,7-dimethylnaphthalene-2-carbonitrile
CID 91824285
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
CID 109270726
4-[[4-(tert-butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112899790
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-triazin-2-ylamino)benzonitrile?
The IUPAC name of 4-(1,3,5-triazin-2-ylamino)benzonitrile (CID 156784005) is 4-(1,3,5-triazin-2-ylamino)benzonitrile.
What is the SMILES notation for 4-(1,3,5-triazin-2-ylamino)benzonitrile?
The canonical SMILES for 4-(1,3,5-triazin-2-ylamino)benzonitrile is N#Cc1ccc(Nc2ncncn2)cc1.
What is the InChIKey of 4-(1,3,5-triazin-2-ylamino)benzonitrile?
The InChIKey is WFYFLEGSVWCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c11-5-8-1-3-9(4-2-8)15-10-13-6-12-7-14-10/h1-4,6-7H,(H,12,13,14,15).
What are the key properties of 4-(1,3,5-triazin-2-ylamino)benzonitrile?
4-(1,3,5-triazin-2-ylamino)benzonitrile has a molecular weight of 197.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-triazin-2-ylamino)benzonitrile is sourced from PubChem (CID 156784005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).