ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine

C12H19N3 — CID 144874593

IUPACethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine
SMILESC/C=C\c1nnnc(C)c1/C=C\C.CC
InChIInChI=1S/C10H13N3.C2H6/c1-4-6-9-8(3)11-13-12-10(9)7-5-2;1-2/h4-7H,1-3H3;1-2H3/b6-4-,7-5-;
InChIKeyODKDMPBAXJQCAK-ISOJEIHBSA-N
MW205.30 g/mol
LogP3.27
Rot. Bonds2

About ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine

ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine (PubChem CID 144874593) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine.

Molecular Properties

Compound Nameethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine
PubChem CID144874593
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine
SMILESC/C=C\c1nnnc(C)c1/C=C\C.CC
InChIInChI=1S/C10H13N3.C2H6/c1-4-6-9-8(3)11-13-12-10(9)7-5-2;1-2/h4-7H,1-3H3;1-2H3/b6-4-,7-5-;
InChIKeyODKDMPBAXJQCAK-ISOJEIHBSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine?
The IUPAC name of ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine (CID 144874593) is ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine.
What is the SMILES notation for ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine?
The canonical SMILES for ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine is C/C=C\c1nnnc(C)c1/C=C\C.CC.
What is the InChIKey of ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine?
The InChIKey is ODKDMPBAXJQCAK-ISOJEIHBSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-4-6-9-8(3)11-13-12-10(9)7-5-2;1-2/h4-7H,1-3H3;1-2H3/b6-4-,7-5-;.
What are the key properties of ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine?
ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine has a molecular weight of 205.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5,6-bis[(Z)-prop-1-enyl]triazine is sourced from PubChem (CID 144874593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).