4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine

C14H25N5 — CID 61337549

IUPAC4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine
SMILESCC(C)c1n[nH]c(C2CCCN2C2CCNCC2)n1
InChIInChI=1S/C14H25N5/c1-10(2)13-16-14(18-17-13)12-4-3-9-19(12)11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17,18)
InChIKeySLIXZGGSUKZXEF-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.82
Rot. Bonds3

About 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine

4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine (PubChem CID 61337549) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine
PubChem CID61337549
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine
SMILESCC(C)c1n[nH]c(C2CCCN2C2CCNCC2)n1
InChIInChI=1S/C14H25N5/c1-10(2)13-16-14(18-17-13)12-4-3-9-19(12)11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17,18)
InChIKeySLIXZGGSUKZXEF-UHFFFAOYSA-N
XLogP1.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192491
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 47002730
3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 71758195
4-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidine
CID 45097111
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192256
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 91662957
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperazine dihydrochloride
CID 121552793
5-Methyl-3-[(2r)-pyrrolidin-2-yl]-1h-1,2,4-triazole dihydrochloride
CID 136589175
5-methyl-3-((2S)-pyrrolidin-2-yl)-1H-1,2,4-triazole dihydrochloride
CID 136589277
4-(3-ethyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride
CID 155858502
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
CID 53192060

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine (CID 61337549) is 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine is CC(C)c1n[nH]c(C2CCCN2C2CCNCC2)n1.
What is the InChIKey of 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine?
The InChIKey is SLIXZGGSUKZXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)13-16-14(18-17-13)12-4-3-9-19(12)11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine?
4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine has a molecular weight of 263.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 61337549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).