6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine

C12H13N5 — CID 66864694

IUPAC6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine
SMILESCC(=Cc1nnc(N)nc1N)c1ccccc1
InChIInChI=1S/C12H13N5/c1-8(9-5-3-2-4-6-9)7-10-11(13)15-12(14)17-16-10/h2-7H,1H3,(H4,13,14,15,17)
InChIKeyKQMWXNXOVIALNG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.60
Rot. Bonds2

About 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine

6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine (PubChem CID 66864694) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine
PubChem CID66864694
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine
SMILESCC(=Cc1nnc(N)nc1N)c1ccccc1
InChIInChI=1S/C12H13N5/c1-8(9-5-3-2-4-6-9)7-10-11(13)15-12(14)17-16-10/h2-7H,1H3,(H4,13,14,15,17)
InChIKeyKQMWXNXOVIALNG-UHFFFAOYSA-N
XLogP1.60
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine (CID 66864694) is 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine is CC(=Cc1nnc(N)nc1N)c1ccccc1.
What is the InChIKey of 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is KQMWXNXOVIALNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-8(9-5-3-2-4-6-9)7-10-11(13)15-12(14)17-16-10/h2-7H,1H3,(H4,13,14,15,17).
What are the key properties of 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine?
6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 227.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylprop-1-enyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 66864694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).