3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole

C10H17N5 — CID 18342141

IUPAC3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole
SMILESC1CCN(c2n[nH]c(N3CCCC3)n2)C1
InChIInChI=1S/C10H17N5/c1-2-6-14(5-1)9-11-10(13-12-9)15-7-3-4-8-15/h1-8H2,(H,11,12,13)
InChIKeyLTLQDJXTUJZXGD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.01
Rot. Bonds2

About 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole

3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole (PubChem CID 18342141) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole
PubChem CID18342141
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole
SMILESC1CCN(c2n[nH]c(N3CCCC3)n2)C1
InChIInChI=1S/C10H17N5/c1-2-6-14(5-1)9-11-10(13-12-9)15-7-3-4-8-15/h1-8H2,(H,11,12,13)
InChIKeyLTLQDJXTUJZXGD-UHFFFAOYSA-N
XLogP1.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole?
The IUPAC name of 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole (CID 18342141) is 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole is C1CCN(c2n[nH]c(N3CCCC3)n2)C1.
What is the InChIKey of 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole?
The InChIKey is LTLQDJXTUJZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-6-14(5-1)9-11-10(13-12-9)15-7-3-4-8-15/h1-8H2,(H,11,12,13).
What are the key properties of 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole?
3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole has a molecular weight of 207.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyrrolidin-1-yl-1H-1,2,4-triazole is sourced from PubChem (CID 18342141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).