(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine

C16H24N6 — CID 95327720

IUPAC(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
SMILESCn1c(CN2CCCC[C@H]2Cn2cccn2)nnc1C1CC1
InChIInChI=1S/C16H24N6/c1-20-15(18-19-16(20)13-6-7-13)12-21-9-3-2-5-14(21)11-22-10-4-8-17-22/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3/t14-/m0/s1
InChIKeyKDBOBLQGKDFLLT-AWEZNQCLSA-N
MW300.41 g/mol
LogP1.94
Rot. Bonds5

About (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine

(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine (PubChem CID 95327720) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
PubChem CID95327720
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
SMILESCn1c(CN2CCCC[C@H]2Cn2cccn2)nnc1C1CC1
InChIInChI=1S/C16H24N6/c1-20-15(18-19-16(20)13-6-7-13)12-21-9-3-2-5-14(21)11-22-10-4-8-17-22/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3/t14-/m0/s1
InChIKeyKDBOBLQGKDFLLT-AWEZNQCLSA-N
XLogP1.94
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336727
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
1-(2,6-dimethylphenyl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]tetrazole
CID 95351858
5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95609203
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72855156

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine (CID 95327720) is (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine is Cn1c(CN2CCCC[C@H]2Cn2cccn2)nnc1C1CC1.
What is the InChIKey of (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is KDBOBLQGKDFLLT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6/c1-20-15(18-19-16(20)13-6-7-13)12-21-9-3-2-5-14(21)11-22-10-4-8-17-22/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 300.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 95327720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).