4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one

C5H10N4O — CID 83679921

IUPAC4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one
SMILESCC(CN)n1cn[nH]c1=O
InChIInChI=1S/C5H10N4O/c1-4(2-6)9-3-7-8-5(9)10/h3-4H,2,6H2,1H3,(H,8,10)
InChIKeyMZXAHTLUOLQEQH-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.91
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one

4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one (PubChem CID 83679921) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one
PubChem CID83679921
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one
SMILESCC(CN)n1cn[nH]c1=O
InChIInChI=1S/C5H10N4O/c1-4(2-6)9-3-7-8-5(9)10/h3-4H,2,6H2,1H3,(H,8,10)
InChIKeyMZXAHTLUOLQEQH-UHFFFAOYSA-N
XLogP-0.91
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one (CID 83679921) is 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one is CC(CN)n1cn[nH]c1=O.
What is the InChIKey of 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is MZXAHTLUOLQEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4(2-6)9-3-7-8-5(9)10/h3-4H,2,6H2,1H3,(H,8,10).
What are the key properties of 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one?
4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 83679921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).