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

C19H18N6O — CID 17392536

IUPAC(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
SMILESCOc1ccc2ccccc2c1/C=C(\C#N)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C19H18N6O/c1-25(2)19-23-17(22-18(21)24-19)13(11-20)10-15-14-7-5-4-6-12(14)8-9-16(15)26-3/h4-10H,1-3H3,(H2,21,22,23,24)/b13-10+
InChIKeyYMCLPPHUNXXXSW-JLHYYAGUSA-N
MW346.39 g/mol
LogP2.75
Rot. Bonds4

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

(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile (PubChem CID 17392536) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
PubChem CID17392536
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
SMILESCOc1ccc2ccccc2c1/C=C(\C#N)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C19H18N6O/c1-25(2)19-23-17(22-18(21)24-19)13(11-20)10-15-14-7-5-4-6-12(14)8-9-16(15)26-3/h4-10H,1-3H3,(H2,21,22,23,24)/b13-10+
InChIKeyYMCLPPHUNXXXSW-JLHYYAGUSA-N
XLogP2.75
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
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-(2-methoxynaphthalen-1-yl)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

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
The IUPAC name of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile (CID 17392536) is (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
The canonical SMILES for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile is COc1ccc2ccccc2c1/C=C(\C#N)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
The InChIKey is YMCLPPHUNXXXSW-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H18N6O/c1-25(2)19-23-17(22-18(21)24-19)13(11-20)10-15-14-7-5-4-6-12(14)8-9-16(15)26-3/h4-10H,1-3H3,(H2,21,22,23,24)/b13-10+.
What are the key properties of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile has a molecular weight of 346.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 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-(2-methoxynaphthalen-1-yl)prop-2-enenitrile is sourced from PubChem (CID 17392536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).