6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride

C19H27ClN6O2 — CID 120823072

IUPAC6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
SMILESCC(C)c1cc(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)cc(=O)[nH]1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-12(2)15-9-14(10-17(26)21-15)19(27)24-6-3-13(4-7-24)18-23-22-16-11-20-5-8-25(16)18;/h9-10,12-13,20H,3-8,11H2,1-2H3,(H,21,26);1H
InChIKeyXGYDXWNCCJLNKR-UHFFFAOYSA-N
MW406.92 g/mol
LogP1.63
Rot. Bonds3

About 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride

6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride (PubChem CID 120823072) has the molecular formula C19H27ClN6O2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
PubChem CID120823072
Molecular FormulaC19H27ClN6O2
Molecular Weight406.92 g/mol
Exact Mass406.19
IUPAC Name6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
SMILESCC(C)c1cc(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)cc(=O)[nH]1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-12(2)15-9-14(10-17(26)21-15)19(27)24-6-3-13(4-7-24)18-23-22-16-11-20-5-8-25(16)18;/h9-10,12-13,20H,3-8,11H2,1-2H3,(H,21,26);1H
InChIKeyXGYDXWNCCJLNKR-UHFFFAOYSA-N
XLogP1.63
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride with MolForge

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823969
(4-fluoro-3-methylsulfanylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120822901
(5-bromothiophen-3-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823172
[3-(difluoromethyl)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823862
[3-(dimethylamino)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823752
[4-(propan-2-yloxymethyl)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823399
(5-bromo-3-methylfuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824231
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120823741
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823915
1,3-benzodioxol-5-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823239
(2S)-2-(dimethylamino)-3-methyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120833549
[4-(ethylsulfanylmethyl)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823348

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride (CID 120823072) is 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride is CC(C)c1cc(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)cc(=O)[nH]1.Cl.
What is the InChIKey of 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
The InChIKey is XGYDXWNCCJLNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.ClH/c1-12(2)15-9-14(10-17(26)21-15)19(27)24-6-3-13(4-7-24)18-23-22-16-11-20-5-8-25(16)18;/h9-10,12-13,20H,3-8,11H2,1-2H3,(H,21,26);1H.
What are the key properties of 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride?
6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 120823072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).