2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile

C8H7Cl2N5 — CID 110192281

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile
SMILESC=CCN(CC#N)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H7Cl2N5/c1-2-4-15(5-3-11)8-13-6(9)12-7(10)14-8/h2H,1,4-5H2
InChIKeyVEOXZCHYSAOFML-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.69
Rot. Bonds4

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile (PubChem CID 110192281) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile
PubChem CID110192281
Molecular FormulaC8H7Cl2N5
Molecular Weight244.08 g/mol
Exact Mass243.01
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile
SMILESC=CCN(CC#N)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H7Cl2N5/c1-2-4-15(5-3-11)8-13-6(9)12-7(10)14-8/h2H,1,4-5H2
InChIKeyVEOXZCHYSAOFML-UHFFFAOYSA-N
XLogP1.69
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
4,6-Dichloro-N,N-di-2-propen-1-yl-1,3,5-triazin-2-amine
CID 97190
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
CID 750966
N,N,N',N',N'',N''-Hexaallyl-1,3,5-triazine-2,4,6-triamine
CID 76069
s-Triazine, 2-chloro-4,6-bis(diallylamino)-
CID 95021
4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 88719282
4-chloro-6-fluoro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 141655645
6-Chloro-4N,4N-diethyl-2N,2N-diallyl-1,3,5-triazine-2,4-diamine
CID 180009
6-Chloro-4N,4N-dimethyl-2N,2N-diallyl-1,3,5-triazine-2,4-diamine
CID 180010
4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 19739695
N2,N2-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 56831789
(4-Chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide
CID 88836842

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile (CID 110192281) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile is C=CCN(CC#N)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile?
The InChIKey is VEOXZCHYSAOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c1-2-4-15(5-3-11)8-13-6(9)12-7(10)14-8/h2H,1,4-5H2.
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile has a molecular weight of 244.08 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile is sourced from PubChem (CID 110192281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).