5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine

C6H7N5O — CID 58201683

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(-c2nc(N)n[nH]2)no1
InChIInChI=1S/C6H7N5O/c1-3-2-4(11-12-3)5-8-6(7)10-9-5/h2H,1H3,(H3,7,8,9,10)
InChIKeyJWITUNLMFAMVAP-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.35
Rot. Bonds1

About 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine

5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 58201683) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID58201683
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(-c2nc(N)n[nH]2)no1
InChIInChI=1S/C6H7N5O/c1-3-2-4(11-12-3)5-8-6(7)10-9-5/h2H,1H3,(H3,7,8,9,10)
InChIKeyJWITUNLMFAMVAP-UHFFFAOYSA-N
XLogP0.35
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine (CID 58201683) is 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine is Cc1cc(-c2nc(N)n[nH]2)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is JWITUNLMFAMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-3-2-4(11-12-3)5-8-6(7)10-9-5/h2H,1H3,(H3,7,8,9,10).
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine?
5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 165.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 58201683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).