2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one

C19H23N5O — CID 126449078

IUPAC2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1ccc([C@@H](C)N2CCCCC2)cc1
InChIInChI=1S/C19H23N5O/c1-13-18(17-12-20-21-19(25)24(17)22-13)16-8-6-15(7-9-16)14(2)23-10-4-3-5-11-23/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyIAJXSEALKGYFET-CQSZACIVSA-N
MW337.43 g/mol
LogP2.94
Rot. Bonds3

About 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one

2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (PubChem CID 126449078) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.

Molecular Properties

Compound Name2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID126449078
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1ccc([C@@H](C)N2CCCCC2)cc1
InChIInChI=1S/C19H23N5O/c1-13-18(17-12-20-21-19(25)24(17)22-13)16-8-6-15(7-9-16)14(2)23-10-4-3-5-11-23/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyIAJXSEALKGYFET-CQSZACIVSA-N
XLogP2.94
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-4-[4-(1-piperidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122568378
3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
CID 97436737
3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide
CID 97434887
3,5-dimethyl-4-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-1,2-oxazole
CID 11702970
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 137167982
4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
CID 126428744
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
CID 125445203
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77093885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The IUPAC name of 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (CID 126449078) is 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.
What is the SMILES notation for 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The canonical SMILES for 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is Cc1nn2c(=O)[nH]ncc2c1-c1ccc([C@@H](C)N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The InChIKey is IAJXSEALKGYFET-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-18(17-12-20-21-19(25)24(17)22-13)16-8-6-15(7-9-16)14(2)23-10-4-3-5-11-23/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one has a molecular weight of 337.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is sourced from PubChem (CID 126449078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).