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

C14H14N6O — CID 137278253

IUPAC(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
SMILESCN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(O)cc2)n1
InChIInChI=1S/C14H14N6O/c1-20(2)14-18-12(17-13(16)19-14)10(8-15)7-9-3-5-11(21)6-4-9/h3-7,21H,1-2H3,(H2,16,17,18,19)/b10-7+
InChIKeyHVESLUNNDYSKAE-JXMROGBWSA-N
MW282.31 g/mol
LogP1.29
Rot. Bonds3

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

(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile (PubChem CID 137278253) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
PubChem CID137278253
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
SMILESCN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(O)cc2)n1
InChIInChI=1S/C14H14N6O/c1-20(2)14-18-12(17-13(16)19-14)10(8-15)7-9-3-5-11(21)6-4-9/h3-7,21H,1-2H3,(H2,16,17,18,19)/b10-7+
InChIKeyHVESLUNNDYSKAE-JXMROGBWSA-N
XLogP1.29
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,6-Diamino-1,3,5-triazin-2-YL)phenol
CID 4524718
4-[(E)-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methyl-carbonimidoyl]phenol
CID 136233503
6-[4,6-Bis(dimethylamino)-1,3,5-triazin-2(1H)-ylidene]cyclohexa-2,4-dien-1-one
CID 135827477
(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(2-hydroxyphenyl)prop-2-enenitrile
CID 135436346
4-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
CID 137286240
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 24583065
(Z)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 47016497
2-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 72060521
4-(4,6-Diamino-1,3,5-triazin-2-yl)-3-fluorophenol
CID 136751508
4-[N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methylcarbonimidoyl]phenol
CID 172022073
4-(2-Amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl)phenol
CID 597554
4-[1-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]phenol
CID 23514231

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile (CID 137278253) is (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile is CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(O)cc2)n1.
What is the InChIKey of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile?
The InChIKey is HVESLUNNDYSKAE-JXMROGBWSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20(2)14-18-12(17-13(16)19-14)10(8-15)7-9-3-5-11(21)6-4-9/h3-7,21H,1-2H3,(H2,16,17,18,19)/b10-7+.
What are the key properties of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile?
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile has a molecular weight of 282.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 137278253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).