4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine

C9H16N4 — CID 122451971

IUPAC4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC=CC1N=C(N)NC(=C)N1C(C)C
InChIInChI=1S/C9H16N4/c1-5-8-12-9(10)11-7(4)13(8)6(2)3/h5-6,8H,1,4H2,2-3H3,(H3,10,11,12)
InChIKeyGZNMGUIATYHAFW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.60
Rot. Bonds2

About 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine

4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 122451971) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID122451971
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC=CC1N=C(N)NC(=C)N1C(C)C
InChIInChI=1S/C9H16N4/c1-5-8-12-9(10)11-7(4)13(8)6(2)3/h5-6,8H,1,4H2,2-3H3,(H3,10,11,12)
InChIKeyGZNMGUIATYHAFW-UHFFFAOYSA-N
XLogP0.60
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine (CID 122451971) is 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine is C=CC1N=C(N)NC(=C)N1C(C)C.
What is the InChIKey of 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is GZNMGUIATYHAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5-8-12-9(10)11-7(4)13(8)6(2)3/h5-6,8H,1,4H2,2-3H3,(H3,10,11,12).
What are the key properties of 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 122451971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).