(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide

C19H23N7O — CID 124754814

IUPAC(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccnc3nncn23)CC1
InChIInChI=1S/C19H23N7O/c1-2-16(18(27)22-15-6-4-3-5-7-15)24-10-12-25(13-11-24)17-8-9-20-19-23-21-14-26(17)19/h3-9,14,16H,2,10-13H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyOZFCEHCBTQSMDO-INIZCTEOSA-N
MW365.44 g/mol
LogP1.66
Rot. Bonds5

About (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide

(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide (PubChem CID 124754814) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide
PubChem CID124754814
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccnc3nncn23)CC1
InChIInChI=1S/C19H23N7O/c1-2-16(18(27)22-15-6-4-3-5-7-15)24-10-12-25(13-11-24)17-8-9-20-19-23-21-14-26(17)19/h3-9,14,16H,2,10-13H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyOZFCEHCBTQSMDO-INIZCTEOSA-N
XLogP1.66
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide
CID 91831881
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide
CID 82224678
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
CID 165425244
4-(1-amino-1-sulfanylidenebutan-2-yl)-N-phenylpiperazine-1-carboxamide
CID 63344009
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
CID 121328340
(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide
CID 125170145
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-phenylpropanamide
CID 16597890
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 41394791
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoic acid
CID 64576109

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide?
The IUPAC name of (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide (CID 124754814) is (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide.
What is the SMILES notation for (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide?
The canonical SMILES for (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide is CC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccnc3nncn23)CC1.
What is the InChIKey of (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide?
The InChIKey is OZFCEHCBTQSMDO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N7O/c1-2-16(18(27)22-15-6-4-3-5-7-15)24-10-12-25(13-11-24)17-8-9-20-19-23-21-14-26(17)19/h3-9,14,16H,2,10-13H2,1H3,(H,22,27)/t16-/m0/s1.
What are the key properties of (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide?
(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide has a molecular weight of 365.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide is sourced from PubChem (CID 124754814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).