5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C23H26N8 — CID 133307274

IUPAC5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C23H26N8/c1-18(16-29-11-13-30(14-12-29)21-9-5-6-10-24-21)27-22-15-20(19-7-3-2-4-8-19)28-23-25-17-26-31(22)23/h2-10,15,17-18,27H,11-14,16H2,1H3
InChIKeyNLPZXWCNPAUFMU-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.81
Rot. Bonds6

About 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133307274) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133307274
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C23H26N8/c1-18(16-29-11-13-30(14-12-29)21-9-5-6-10-24-21)27-22-15-20(19-7-3-2-4-8-19)28-23-25-17-26-31(22)23/h2-10,15,17-18,27H,11-14,16H2,1H3
InChIKeyNLPZXWCNPAUFMU-UHFFFAOYSA-N
XLogP2.81
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133481260
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
methyl 2-[4-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287591
(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
CID 96542349
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133279335
5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133307215

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133307274) is 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(CN1CCN(c2ccccn2)CC1)Nc1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NLPZXWCNPAUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-18(16-29-11-13-30(14-12-29)21-9-5-6-10-24-21)27-22-15-20(19-7-3-2-4-8-19)28-23-25-17-26-31(22)23/h2-10,15,17-18,27H,11-14,16H2,1H3.
What are the key properties of 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 414.52 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133307274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).