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

C6H11N5 — CID 66276003

IUPAC3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCCC2)n[nH]1
InChIInChI=1S/C6H11N5/c7-5-8-6(10-9-5)11-3-1-2-4-11/h1-4H2,(H3,7,8,9,10)
InChIKeyKAMUXTGRBIHCDT-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.01
Rot. Bonds1

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

3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine (PubChem CID 66276003) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine
PubChem CID66276003
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCCC2)n[nH]1
InChIInChI=1S/C6H11N5/c7-5-8-6(10-9-5)11-3-1-2-4-11/h1-4H2,(H3,7,8,9,10)
InChIKeyKAMUXTGRBIHCDT-UHFFFAOYSA-N
XLogP-0.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine (CID 66276003) is 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCCC2)n[nH]1.
What is the InChIKey of 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is KAMUXTGRBIHCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c7-5-8-6(10-9-5)11-3-1-2-4-11/h1-4H2,(H3,7,8,9,10).
What are the key properties of 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine?
3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 153.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).