ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine

C14H26N4 — CID 143126502

IUPACethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
SMILESCC.CC1/C=N\C=C/C/N=C\N1C1CCNCC1
InChIInChI=1S/C12H20N4.C2H6/c1-11-9-14-5-2-6-15-10-16(11)12-3-7-13-8-4-12;1-2/h2,5,9-13H,3-4,6-8H2,1H3;1-2H3/b5-2-,14-9-,15-10-;
InChIKeyGWAATPRTKVKHTP-HELPNBKFSA-N
MW250.39 g/mol
LogP2.08
Rot. Bonds1

About ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine

ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine (PubChem CID 143126502) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine.

Molecular Properties

Compound Nameethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
PubChem CID143126502
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Nameethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
SMILESCC.CC1/C=N\C=C/C/N=C\N1C1CCNCC1
InChIInChI=1S/C12H20N4.C2H6/c1-11-9-14-5-2-6-15-10-16(11)12-3-7-13-8-4-12;1-2/h2,5,9-13H,3-4,6-8H2,1H3;1-2H3/b5-2-,14-9-,15-10-;
InChIKeyGWAATPRTKVKHTP-HELPNBKFSA-N
XLogP2.08
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
The IUPAC name of ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine (CID 143126502) is ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine.
What is the SMILES notation for ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
The canonical SMILES for ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine is CC.CC1/C=N\C=C/C/N=C\N1C1CCNCC1.
What is the InChIKey of ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
The InChIKey is GWAATPRTKVKHTP-HELPNBKFSA-N. The full InChI is InChI=1S/C12H20N4.C2H6/c1-11-9-14-5-2-6-15-10-16(11)12-3-7-13-8-4-12;1-2/h2,5,9-13H,3-4,6-8H2,1H3;1-2H3/b5-2-,14-9-,15-10-;.
What are the key properties of ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine has a molecular weight of 250.39 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine is sourced from PubChem (CID 143126502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).