1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine

C16H23N7 — CID 126893462

IUPAC1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESCn1ncc(CN2CC(N3CCN(c4ccccn4)CC3)C2)n1
InChIInChI=1S/C16H23N7/c1-20-18-10-14(19-20)11-21-12-15(13-21)22-6-8-23(9-7-22)16-4-2-3-5-17-16/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeyLNCRSHUXCKGBIN-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.22
Rot. Bonds4

About 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine

1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine (PubChem CID 126893462) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
PubChem CID126893462
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESCn1ncc(CN2CC(N3CCN(c4ccccn4)CC3)C2)n1
InChIInChI=1S/C16H23N7/c1-20-18-10-14(19-20)11-21-12-15(13-21)22-6-8-23(9-7-22)16-4-2-3-5-17-16/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeyLNCRSHUXCKGBIN-UHFFFAOYSA-N
XLogP0.22
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine
CID 126892020
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
2-cyclopropyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893499
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507
5-cyclopropyl-2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893542
6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
CID 126893492
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
CID 126893466
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
5-cyclopropyl-3-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893518
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-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine (CID 126893462) is 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine is Cn1ncc(CN2CC(N3CCN(c4ccccn4)CC3)C2)n1.
What is the InChIKey of 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is LNCRSHUXCKGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-20-18-10-14(19-20)11-21-12-15(13-21)22-6-8-23(9-7-22)16-4-2-3-5-17-16/h2-5,10,15H,6-9,11-13H2,1H3.
What are the key properties of 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine?
1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 313.41 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 126893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).