2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline

C16H18N6 — CID 146045794

IUPAC2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
SMILESCc1nc(C2CCCN(c3cnc4ccccc4n3)C2)n[nH]1
InChIInChI=1S/C16H18N6/c1-11-18-16(21-20-11)12-5-4-8-22(10-12)15-9-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,20,21)
InChIKeyFVQVBUGXHXBSDO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.44
Rot. Bonds2

About 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline (PubChem CID 146045794) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
PubChem CID146045794
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
SMILESCc1nc(C2CCCN(c3cnc4ccccc4n3)C2)n[nH]1
InChIInChI=1S/C16H18N6/c1-11-18-16(21-20-11)12-5-4-8-22(10-12)15-9-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,20,21)
InChIKeyFVQVBUGXHXBSDO-UHFFFAOYSA-N
XLogP2.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
CID 95225378
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
CID 124883316
N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
CID 56913561
6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133363865
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133363780
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
CID 63390007
2-[(3R)-3-ethylpiperazin-1-yl]quinoxaline
CID 129409830

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline (CID 146045794) is 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline is Cc1nc(C2CCCN(c3cnc4ccccc4n3)C2)n[nH]1.
What is the InChIKey of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline?
The InChIKey is FVQVBUGXHXBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-11-18-16(21-20-11)12-5-4-8-22(10-12)15-9-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,20,21).
What are the key properties of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline?
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline has a molecular weight of 294.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 146045794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).