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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 673949
CID 673949
CID 535637
CID 535637
CID 4916546
CID 4916546
CID 4417218
CID 4417218
CID 551072
CID 551072
CID 841662
CID 841662
CID 62687223
CID 62687223
CID 673953
CID 673953
CID 1268901
CID 1268901
CID 685647
CID 685647
CID 3140730
CID 3140730
CID 3140731
CID 3140731

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).