(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine

C11H18N4 — CID 104915216

IUPAC(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nnc([C@@H]2CCCCN2)n1C1CC1
InChIInChI=1S/C11H18N4/c1-8-13-14-11(15(8)9-5-6-9)10-4-2-3-7-12-10/h9-10,12H,2-7H2,1H3/t10-/m0/s1
InChIKeyXFDNSKSGUHSOIZ-JTQLQIEISA-N
MW206.29 g/mol
LogP1.74
Rot. Bonds2

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

(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 104915216) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID104915216
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nnc([C@@H]2CCCCN2)n1C1CC1
InChIInChI=1S/C11H18N4/c1-8-13-14-11(15(8)9-5-6-9)10-4-2-3-7-12-10/h9-10,12H,2-7H2,1H3/t10-/m0/s1
InChIKeyXFDNSKSGUHSOIZ-JTQLQIEISA-N
XLogP1.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)azepane
CID 64561912
(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915219
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)azepane
CID 64562107
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 104899326
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
6-methyl-3-piperidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148558
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine (CID 104915216) is (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine is Cc1nnc([C@@H]2CCCCN2)n1C1CC1.
What is the InChIKey of (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is XFDNSKSGUHSOIZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4/c1-8-13-14-11(15(8)9-5-6-9)10-4-2-3-7-12-10/h9-10,12H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine?
(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 206.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 104915216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).