(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone

C15H19N7O — CID 154795027

IUPAC(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone
SMILESO=C(C1CCN(c2cnccn2)CC1)N1CCCc2n[nH]nc21
InChIInChI=1S/C15H19N7O/c23-15(22-7-1-2-12-14(22)19-20-18-12)11-3-8-21(9-4-11)13-10-16-5-6-17-13/h5-6,10-11H,1-4,7-9H2,(H,18,19,20)
InChIKeyABVIRACBCGUCGX-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.79
Rot. Bonds2

About (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone

(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone (PubChem CID 154795027) has the molecular formula C15H19N7O and a molecular weight of 313.36 g/mol. Its IUPAC name is (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone
PubChem CID154795027
Molecular FormulaC15H19N7O
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone
SMILESO=C(C1CCN(c2cnccn2)CC1)N1CCCc2n[nH]nc21
InChIInChI=1S/C15H19N7O/c23-15(22-7-1-2-12-14(22)19-20-18-12)11-3-8-21(9-4-11)13-10-16-5-6-17-13/h5-6,10-11H,1-4,7-9H2,(H,18,19,20)
InChIKeyABVIRACBCGUCGX-UHFFFAOYSA-N
XLogP0.79
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

(2-methylpiperidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 171473302
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 71869796
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701658
(2-methylpiperazin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
CID 119473452
N'-hydroxy-1-pyrazin-2-ylpiperidine-4-carboximidamide
CID 131632877

Frequently Asked Questions

What is the IUPAC name of (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone?
The IUPAC name of (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone (CID 154795027) is (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone.
What is the SMILES notation for (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone?
The canonical SMILES for (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone is O=C(C1CCN(c2cnccn2)CC1)N1CCCc2n[nH]nc21.
What is the InChIKey of (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone?
The InChIKey is ABVIRACBCGUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c23-15(22-7-1-2-12-14(22)19-20-18-12)11-3-8-21(9-4-11)13-10-16-5-6-17-13/h5-6,10-11H,1-4,7-9H2,(H,18,19,20).
What are the key properties of (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone?
(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone is sourced from PubChem (CID 154795027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).