3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole

C9H14N4 — CID 61339307

IUPAC3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESC1CNC(c2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C9H14N4/c1-2-7(10-5-1)9-11-8(12-13-9)6-3-4-6/h6-7,10H,1-5H2,(H,11,12,13)
InChIKeyHRXISEUWXZXUTJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.11
Rot. Bonds2

About 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole

3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole (PubChem CID 61339307) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
PubChem CID61339307
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESC1CNC(c2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C9H14N4/c1-2-7(10-5-1)9-11-8(12-13-9)6-3-4-6/h6-7,10H,1-5H2,(H,11,12,13)
InChIKeyHRXISEUWXZXUTJ-UHFFFAOYSA-N
XLogP1.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole (CID 61339307) is 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole is C1CNC(c2nc(C3CC3)n[nH]2)C1.
What is the InChIKey of 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The InChIKey is HRXISEUWXZXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-7(10-5-1)9-11-8(12-13-9)6-3-4-6/h6-7,10H,1-5H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole has a molecular weight of 178.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 61339307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).