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

C12H20N4 — CID 143126503

IUPAC(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
SMILESCC1/C=N\C=C/C/N=C\N1C1CCNCC1
InChIInChI=1S/C12H20N4/c1-11-9-14-5-2-6-15-10-16(11)12-3-7-13-8-4-12/h2,5,9-13H,3-4,6-8H2,1H3/b5-2-,14-9-,15-10-
InChIKeyBHKNUVNTWIRBRT-WVGDEIRHSA-N
MW220.32 g/mol
LogP1.06
Rot. Bonds1

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

(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine (PubChem CID 143126503) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine.

Molecular Properties

Compound Name(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
PubChem CID143126503
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
SMILESCC1/C=N\C=C/C/N=C\N1C1CCNCC1
InChIInChI=1S/C12H20N4/c1-11-9-14-5-2-6-15-10-16(11)12-3-7-13-8-4-12/h2,5,9-13H,3-4,6-8H2,1H3/b5-2-,14-9-,15-10-
InChIKeyBHKNUVNTWIRBRT-WVGDEIRHSA-N
XLogP1.06
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
The IUPAC name of (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine (CID 143126503) is (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine.
What is the SMILES notation for (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
The canonical SMILES for (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine is CC1/C=N\C=C/C/N=C\N1C1CCNCC1.
What is the InChIKey of (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
The InChIKey is BHKNUVNTWIRBRT-WVGDEIRHSA-N. The full InChI is InChI=1S/C12H20N4/c1-11-9-14-5-2-6-15-10-16(11)12-3-7-13-8-4-12/h2,5,9-13H,3-4,6-8H2,1H3/b5-2-,14-9-,15-10-.
What are the key properties of (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine?
(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine has a molecular weight of 220.32 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine is sourced from PubChem (CID 143126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).