(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile

C14H13ClN6 — CID 47016489

IUPAC(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile
SMILESCN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN6/c1-21(2)14-19-12(18-13(17)20-14)10(8-16)7-9-3-5-11(15)6-4-9/h3-7H,1-2H3,(H2,17,18,19,20)/b10-7-
InChIKeyNZPLIXXYARBUQC-YFHOEESVSA-N
MW300.75 g/mol
LogP2.24
Rot. Bonds3

About (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile

(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile (PubChem CID 47016489) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile
PubChem CID47016489
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile
SMILESCN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN6/c1-21(2)14-19-12(18-13(17)20-14)10(8-16)7-9-3-5-11(15)6-4-9/h3-7H,1-2H3,(H2,17,18,19,20)/b10-7-
InChIKeyNZPLIXXYARBUQC-YFHOEESVSA-N
XLogP2.24
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 17393042
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enenitrile
CID 24582943
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 17403320
(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enenitrile
CID 94189199
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enenitrile
CID 46518769
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
CID 24582908
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile
CID 97357656
[4-[(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyanoethenyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 24582928
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 17392536
(E)-3-(4-chlorophenyl)-2-[5-[(E)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,2,4-thiadiazol-3-yl]prop-2-enenitrile
CID 166611225
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile
CID 17479840
2-[4-[(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyanoethenyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 24583104

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile (CID 47016489) is (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile is CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(Cl)cc2)n1.
What is the InChIKey of (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is NZPLIXXYARBUQC-YFHOEESVSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-21(2)14-19-12(18-13(17)20-14)10(8-16)7-9-3-5-11(15)6-4-9/h3-7H,1-2H3,(H2,17,18,19,20)/b10-7-.
What are the key properties of (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile?
(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile has a molecular weight of 300.75 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 47016489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).