3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine

C10H18N6 — CID 66276900

IUPAC3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCC(N3CCCC3)C2)n[nH]1
InChIInChI=1S/C10H18N6/c11-9-12-10(14-13-9)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2,(H3,11,12,13,14)
InChIKeyFLKJIPJKUZYKHP-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.06
Rot. Bonds2

About 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine

3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66276900) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66276900
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCC(N3CCCC3)C2)n[nH]1
InChIInChI=1S/C10H18N6/c11-9-12-10(14-13-9)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2,(H3,11,12,13,14)
InChIKeyFLKJIPJKUZYKHP-UHFFFAOYSA-N
XLogP0.06
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66276900) is 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCC(N3CCCC3)C2)n[nH]1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is FLKJIPJKUZYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c11-9-12-10(14-13-9)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2,(H3,11,12,13,14).
What are the key properties of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 222.30 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).