(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine

C14H25N5 — CID 124755225

IUPAC(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCCc1n[nH]c(CN2CC(N3CCCC[C@@H]3C)C2)n1
InChIInChI=1S/C14H25N5/c1-3-13-15-14(17-16-13)10-18-8-12(9-18)19-7-5-4-6-11(19)2/h11-12H,3-10H2,1-2H3,(H,15,16,17)/t11-/m0/s1
InChIKeyPWJLCPWBPNBUEJ-NSHDSACASA-N
MW263.39 g/mol
LogP1.43
Rot. Bonds4

About (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine

(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine (PubChem CID 124755225) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
PubChem CID124755225
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCCc1n[nH]c(CN2CC(N3CCCC[C@@H]3C)C2)n1
InChIInChI=1S/C14H25N5/c1-3-13-15-14(17-16-13)10-18-8-12(9-18)19-7-5-4-6-11(19)2/h11-12H,3-10H2,1-2H3,(H,15,16,17)/t11-/m0/s1
InChIKeyPWJLCPWBPNBUEJ-NSHDSACASA-N
XLogP1.43
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine (CID 124755225) is (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine is CCc1n[nH]c(CN2CC(N3CCCC[C@@H]3C)C2)n1.
What is the InChIKey of (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The InChIKey is PWJLCPWBPNBUEJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N5/c1-3-13-15-14(17-16-13)10-18-8-12(9-18)19-7-5-4-6-11(19)2/h11-12H,3-10H2,1-2H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine has a molecular weight of 263.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine is sourced from PubChem (CID 124755225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).