1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine

C16H23N7 — CID 126893461

IUPAC1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
SMILESc1ccc(N2CCN(C3CN(CCn4nccn4)C3)CC2)nc1
InChIInChI=1S/C16H23N7/c1-2-4-17-16(3-1)22-10-8-21(9-11-22)15-13-20(14-15)7-12-23-18-5-6-19-23/h1-6,15H,7-14H2
InChIKeyQCMBQOHFCFYYOS-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.18
Rot. Bonds5

About 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine

1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine (PubChem CID 126893461) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
PubChem CID126893461
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
SMILESc1ccc(N2CCN(C3CN(CCn4nccn4)C3)CC2)nc1
InChIInChI=1S/C16H23N7/c1-2-4-17-16(3-1)22-10-8-21(9-11-22)15-13-20(14-15)7-12-23-18-5-6-19-23/h1-6,15H,7-14H2
InChIKeyQCMBQOHFCFYYOS-UHFFFAOYSA-N
XLogP0.18
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893462
6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
CID 126893492
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
CID 143290721
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
2-cyclopropyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893499
5-cyclopropyl-2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893542
1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893449

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine (CID 126893461) is 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine is c1ccc(N2CCN(C3CN(CCn4nccn4)C3)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine?
The InChIKey is QCMBQOHFCFYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-2-4-17-16(3-1)22-10-8-21(9-11-22)15-13-20(14-15)7-12-23-18-5-6-19-23/h1-6,15H,7-14H2.
What are the key properties of 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine?
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine has a molecular weight of 313.41 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 126893461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).