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

C11H17N3 — CID 142959925

IUPACethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine
SMILESC=Cc1c(C)nnnc1/C=C\C.CC
InChIInChI=1S/C9H11N3.C2H6/c1-4-6-9-8(5-2)7(3)10-12-11-9;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyFBSQDUSFRZCQKA-YHSAGPEESA-N
MW191.28 g/mol
LogP2.88
Rot. Bonds2

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

ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine (PubChem CID 142959925) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine.

Molecular Properties

Compound Nameethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine
PubChem CID142959925
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Nameethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine
SMILESC=Cc1c(C)nnnc1/C=C\C.CC
InChIInChI=1S/C9H11N3.C2H6/c1-4-6-9-8(5-2)7(3)10-12-11-9;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyFBSQDUSFRZCQKA-YHSAGPEESA-N
XLogP2.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine?
The IUPAC name of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine (CID 142959925) is ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine.
What is the SMILES notation for ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine?
The canonical SMILES for ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine is C=Cc1c(C)nnnc1/C=C\C.CC.
What is the InChIKey of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine?
The InChIKey is FBSQDUSFRZCQKA-YHSAGPEESA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-4-6-9-8(5-2)7(3)10-12-11-9;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine?
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine has a molecular weight of 191.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine is sourced from PubChem (CID 142959925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).