N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine

C10H14N4 — CID 143387500

IUPACN-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C/C(=C\CC)Nc1ncnc(C)n1
InChIInChI=1S/C10H14N4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10/h5-7H,2,4H2,1,3H3,(H,11,12,13,14)/b9-6+
InChIKeyRFXLSAPCPFGRHC-RMKNXTFCSA-N
MW190.25 g/mol
LogP2.07
Rot. Bonds4

About N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine

N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine (PubChem CID 143387500) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
PubChem CID143387500
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C/C(=C\CC)Nc1ncnc(C)n1
InChIInChI=1S/C10H14N4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10/h5-7H,2,4H2,1,3H3,(H,11,12,13,14)/b9-6+
InChIKeyRFXLSAPCPFGRHC-RMKNXTFCSA-N
XLogP2.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine 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 N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine (CID 143387500) is N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine is C=C/C(=C\CC)Nc1ncnc(C)n1.
What is the InChIKey of N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The InChIKey is RFXLSAPCPFGRHC-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10/h5-7H,2,4H2,1,3H3,(H,11,12,13,14)/b9-6+.
What are the key properties of N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine has a molecular weight of 190.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 143387500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).