(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine

C15H24N6 — CID 97199615

IUPAC(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine
SMILESCC(C)(C)c1cc(Cn2cc([C@H]3CCCNC3)nn2)[nH]n1
InChIInChI=1S/C15H24N6/c1-15(2,3)14-7-12(17-19-14)9-21-10-13(18-20-21)11-5-4-6-16-8-11/h7,10-11,16H,4-6,8-9H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyFLUGCTBXCCMZCZ-NSHDSACASA-N
MW288.40 g/mol
LogP1.81
Rot. Bonds3

About (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine

(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine (PubChem CID 97199615) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine
PubChem CID97199615
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine
SMILESCC(C)(C)c1cc(Cn2cc([C@H]3CCCNC3)nn2)[nH]n1
InChIInChI=1S/C15H24N6/c1-15(2,3)14-7-12(17-19-14)9-21-10-13(18-20-21)11-5-4-6-16-8-11/h7,10-11,16H,4-6,8-9H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyFLUGCTBXCCMZCZ-NSHDSACASA-N
XLogP1.81
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine?
The IUPAC name of (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine (CID 97199615) is (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine.
What is the SMILES notation for (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine?
The canonical SMILES for (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine is CC(C)(C)c1cc(Cn2cc([C@H]3CCCNC3)nn2)[nH]n1.
What is the InChIKey of (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine?
The InChIKey is FLUGCTBXCCMZCZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N6/c1-15(2,3)14-7-12(17-19-14)9-21-10-13(18-20-21)11-5-4-6-16-8-11/h7,10-11,16H,4-6,8-9H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine?
(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine has a molecular weight of 288.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine is sourced from PubChem (CID 97199615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).