4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide

C5H9N5O2 — CID 536746

IUPAC4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNCCNC(=O)c1nonc1N
InChIInChI=1S/C5H9N5O2/c6-1-2-8-5(11)3-4(7)10-12-9-3/h1-2,6H2,(H2,7,10)(H,8,11)
InChIKeyGMAOXGYMUZIHOQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.66
Rot. Bonds3

About 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 536746) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID536746
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNCCNC(=O)c1nonc1N
InChIInChI=1S/C5H9N5O2/c6-1-2-8-5(11)3-4(7)10-12-9-3/h1-2,6H2,(H2,7,10)(H,8,11)
InChIKeyGMAOXGYMUZIHOQ-UHFFFAOYSA-N
XLogP-1.66
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide (CID 536746) is 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide is NCCNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GMAOXGYMUZIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-1-2-8-5(11)3-4(7)10-12-9-3/h1-2,6H2,(H2,7,10)(H,8,11).
What are the key properties of 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 536746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).