4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine

C14H23N5 — CID 53192262

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine
SMILESC1CC(N2CCC(c3nc(C4CC4)n[nH]3)CC2)CN1
InChIInChI=1S/C14H23N5/c1-2-10(1)13-16-14(18-17-13)11-4-7-19(8-5-11)12-3-6-15-9-12/h10-12,15H,1-9H2,(H,16,17,18)
InChIKeyHRQIUHVXSFEERK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.22
Rot. Bonds3

About 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine (PubChem CID 53192262) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine
PubChem CID53192262
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine
SMILESC1CC(N2CCC(c3nc(C4CC4)n[nH]3)CC2)CN1
InChIInChI=1S/C14H23N5/c1-2-10(1)13-16-14(18-17-13)11-4-7-19(8-5-11)12-3-6-15-9-12/h10-12,15H,1-9H2,(H,16,17,18)
InChIKeyHRQIUHVXSFEERK-UHFFFAOYSA-N
XLogP1.22
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine (CID 53192262) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine is C1CC(N2CCC(c3nc(C4CC4)n[nH]3)CC2)CN1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine?
The InChIKey is HRQIUHVXSFEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-10(1)13-16-14(18-17-13)11-4-7-19(8-5-11)12-3-6-15-9-12/h10-12,15H,1-9H2,(H,16,17,18).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine has a molecular weight of 261.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 53192262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).