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

C9H16N4 — CID 122451969

IUPACN-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC=CNC1=NCN(C(C)C)C(=C)N1
InChIInChI=1S/C9H16N4/c1-5-10-9-11-6-13(7(2)3)8(4)12-9/h5,7H,1,4,6H2,2-3H3,(H2,10,11,12)
InChIKeyUPOIFWVVUYCVMC-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.82
Rot. Bonds2

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

N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 122451969) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID122451969
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC=CNC1=NCN(C(C)C)C(=C)N1
InChIInChI=1S/C9H16N4/c1-5-10-9-11-6-13(7(2)3)8(4)12-9/h5,7H,1,4,6H2,2-3H3,(H2,10,11,12)
InChIKeyUPOIFWVVUYCVMC-UHFFFAOYSA-N
XLogP0.82
TPSA39.66 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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine (CID 122451969) is N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine is C=CNC1=NCN(C(C)C)C(=C)N1.
What is the InChIKey of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is UPOIFWVVUYCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5-10-9-11-6-13(7(2)3)8(4)12-9/h5,7H,1,4,6H2,2-3H3,(H2,10,11,12).
What are the key properties of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
N-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 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 122451969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).