ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine

C11H16N6 — CID 178111563

IUPACethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine
SMILESC=C.C=CC.c1cnncn1.c1ncncn1
InChIInChI=1S/2C3H3N3.C3H6.C2H4/c1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-3-2;1-2/h2*1-3H;3H,1H2,2H3;1-2H2
InChIKeyBMEXYWVCLFBFBJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.74
Rot. Bonds

About ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine

ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine (PubChem CID 178111563) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine.

Molecular Properties

Compound Nameethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine
PubChem CID178111563
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Nameethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine
SMILESC=C.C=CC.c1cnncn1.c1ncncn1
InChIInChI=1S/2C3H3N3.C3H6.C2H4/c1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-3-2;1-2/h2*1-3H;3H,1H2,2H3;1-2H2
InChIKeyBMEXYWVCLFBFBJ-UHFFFAOYSA-N
XLogP1.74
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 158785660
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ethane;pyrazine;pyridazine;pyridine;pyrimidine
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CID 174498659
phenol;1,2,4-triazine
CID 174940073
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
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benzene;pyrazine;pyridazine;pyrimidine
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CID 173133510

Frequently Asked Questions

What is the IUPAC name of ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine?
The IUPAC name of ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine (CID 178111563) is ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine.
What is the SMILES notation for ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine?
The canonical SMILES for ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine is C=C.C=CC.c1cnncn1.c1ncncn1.
What is the InChIKey of ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine?
The InChIKey is BMEXYWVCLFBFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3.C3H6.C2H4/c1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-3-2;1-2/h2*1-3H;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine?
ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine has a molecular weight of 232.29 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine is sourced from PubChem (CID 178111563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).