3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one

C5H10N4O — CID 138498850

IUPAC3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)Nc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O/c1-3(2)6-4-7-5(10)9-8-4/h3H,1-2H3,(H3,6,7,8,9,10)
InChIKeyZSNXLAAWIFLWGA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.08
Rot. Bonds2

About 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one

3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 138498850) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID138498850
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)Nc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O/c1-3(2)6-4-7-5(10)9-8-4/h3H,1-2H3,(H3,6,7,8,9,10)
InChIKeyZSNXLAAWIFLWGA-UHFFFAOYSA-N
XLogP-0.08
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one (CID 138498850) is 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one is CC(C)Nc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZSNXLAAWIFLWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(2)6-4-7-5(10)9-8-4/h3H,1-2H3,(H3,6,7,8,9,10).
What are the key properties of 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one?
3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 138498850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).