2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone

C16H16N6O — CID 110102495

IUPAC2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C16H16N6O/c23-16(11-3-4-13-14(8-11)20-21-19-13)22-7-1-2-12(10-22)15-9-17-5-6-18-15/h3-6,8-9,12H,1-2,7,10H2,(H,19,20,21)
InChIKeyRWHUKONFEXAMOE-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.77
Rot. Bonds2

About 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone

2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone (PubChem CID 110102495) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
PubChem CID110102495
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C16H16N6O/c23-16(11-3-4-13-14(8-11)20-21-19-13)22-7-1-2-12(10-22)15-9-17-5-6-18-15/h3-6,8-9,12H,1-2,7,10H2,(H,19,20,21)
InChIKeyRWHUKONFEXAMOE-UHFFFAOYSA-N
XLogP1.77
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 136561624
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone (CID 110102495) is 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc2n[nH]nc2c1)N1CCCC(c2cnccn2)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The InChIKey is RWHUKONFEXAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(11-3-4-13-14(8-11)20-21-19-13)22-7-1-2-12(10-22)15-9-17-5-6-18-15/h3-6,8-9,12H,1-2,7,10H2,(H,19,20,21).
What are the key properties of 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone has a molecular weight of 308.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110102495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).