5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine

C14H17N5 — CID 54608482

IUPAC5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N)nc1/C=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C14H17N5/c1-10-13(16-14(15)18-17-10)9-6-11-4-7-12(8-5-11)19(2)3/h4-9H,1-3H3,(H2,15,16,18)/b9-6-
InChIKeyTWTCODGXDACPQI-TWGQIWQCSA-N
MW255.32 g/mol
LogP2.00
Rot. Bonds3

About 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine

5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine (PubChem CID 54608482) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine
PubChem CID54608482
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N)nc1/C=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C14H17N5/c1-10-13(16-14(15)18-17-10)9-6-11-4-7-12(8-5-11)19(2)3/h4-9H,1-3H3,(H2,15,16,18)/b9-6-
InChIKeyTWTCODGXDACPQI-TWGQIWQCSA-N
XLogP2.00
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine (CID 54608482) is 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine is Cc1nnc(N)nc1/C=C\c1ccc(N(C)C)cc1.
What is the InChIKey of 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine?
The InChIKey is TWTCODGXDACPQI-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-13(16-14(15)18-17-10)9-6-11-4-7-12(8-5-11)19(2)3/h4-9H,1-3H3,(H2,15,16,18)/b9-6-.
What are the key properties of 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine?
5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine has a molecular weight of 255.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 54608482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).