2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile

C11H10N6 — CID 9156589

IUPAC2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile
SMILESN#CCc1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H10N6/c12-7-6-9-15-10(13)17-11(16-9)14-8-4-2-1-3-5-8/h1-5H,6H2,(H3,13,14,15,16,17)
InChIKeyWUDAGWKSEJVISS-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.26
Rot. Bonds3

About 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile

2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile (PubChem CID 9156589) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile
PubChem CID9156589
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile
SMILESN#CCc1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H10N6/c12-7-6-9-15-10(13)17-11(16-9)14-8-4-2-1-3-5-8/h1-5H,6H2,(H3,13,14,15,16,17)
InChIKeyWUDAGWKSEJVISS-UHFFFAOYSA-N
XLogP1.26
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrimethanil
CID 91650
Amanozine
CID 10832
Melarsen oxide
CID 30830
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
4-(Ethylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 778602
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile?
The IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile (CID 9156589) is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile is N#CCc1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile?
The InChIKey is WUDAGWKSEJVISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-7-6-9-15-10(13)17-11(16-9)14-8-4-2-1-3-5-8/h1-5H,6H2,(H3,13,14,15,16,17).
What are the key properties of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile?
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile is sourced from PubChem (CID 9156589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).