3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one

C5H10N4O — CID 59297006

IUPAC3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(N)n[nH]c1=O
InChIInChI=1S/C5H10N4O/c1-3(2)9-4(6)7-8-5(9)10/h3H,1-2H3,(H2,6,7)(H,8,10)
InChIKeyAFZNVSWWEVUXTQ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.27
Rot. Bonds1

About 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one

3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 59297006) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one
PubChem CID59297006
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(N)n[nH]c1=O
InChIInChI=1S/C5H10N4O/c1-3(2)9-4(6)7-8-5(9)10/h3H,1-2H3,(H2,6,7)(H,8,10)
InChIKeyAFZNVSWWEVUXTQ-UHFFFAOYSA-N
XLogP-0.27
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one (CID 59297006) is 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one is CC(C)n1c(N)n[nH]c1=O.
What is the InChIKey of 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is AFZNVSWWEVUXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(2)9-4(6)7-8-5(9)10/h3H,1-2H3,(H2,6,7)(H,8,10).
What are the key properties of 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one?
3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propan-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 59297006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).