3-amino-3,4-dihydro-1,2,4-triazol-5-one

C2H4N4O — CID 70292863

IUPAC3-amino-3,4-dihydro-1,2,4-triazol-5-one
SMILESNC1N=NC(=O)N1
InChIInChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h1H,3H2,(H,4,7)
InChIKeyOVVRVGLPLAHFBW-UHFFFAOYSA-N
MW100.08 g/mol
LogP-0.60
Rot. Bonds

About 3-amino-3,4-dihydro-1,2,4-triazol-5-one

3-amino-3,4-dihydro-1,2,4-triazol-5-one (PubChem CID 70292863) has the molecular formula C2H4N4O and a molecular weight of 100.08 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-amino-3,4-dihydro-1,2,4-triazol-5-one
PubChem CID70292863
Molecular FormulaC2H4N4O
Molecular Weight100.08 g/mol
Exact Mass100.04
IUPAC Name3-amino-3,4-dihydro-1,2,4-triazol-5-one
SMILESNC1N=NC(=O)N1
InChIInChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h1H,3H2,(H,4,7)
InChIKeyOVVRVGLPLAHFBW-UHFFFAOYSA-N
XLogP-0.60
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-amino-3,4-dihydro-1,2,4-triazol-5-one (CID 70292863) is 3-amino-3,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-amino-3,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-amino-3,4-dihydro-1,2,4-triazol-5-one is NC1N=NC(=O)N1.
What is the InChIKey of 3-amino-3,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is OVVRVGLPLAHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h1H,3H2,(H,4,7).
What are the key properties of 3-amino-3,4-dihydro-1,2,4-triazol-5-one?
3-amino-3,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 100.08 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 70292863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).