2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C17H18N6O — CID 124942665

IUPAC2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)n1
InChIInChI=1S/C17H18N6O/c1-11-8-18-9-16(19-11)13-3-2-6-23(10-13)17(24)12-4-5-14-15(7-12)21-22-20-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyAWWGENSQJJHPKK-ZDUSSCGKSA-N
MW322.37 g/mol
LogP2.08
Rot. Bonds2

About 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 124942665) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID124942665
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)n1
InChIInChI=1S/C17H18N6O/c1-11-8-18-9-16(19-11)13-3-2-6-23(10-13)17(24)12-4-5-14-15(7-12)21-22-20-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyAWWGENSQJJHPKK-ZDUSSCGKSA-N
XLogP2.08
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184
3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246151
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110102495
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
3-methyl-5-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124991358
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 124942665) is 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)n1.
What is the InChIKey of 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is AWWGENSQJJHPKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-8-18-9-16(19-11)13-3-2-6-23(10-13)17(24)12-4-5-14-15(7-12)21-22-20-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.08, 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-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124942665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).