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

C8H11N5O — CID 79543372

IUPAC5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine
SMILESCc1cc(Cn2nnc(N)c2C)on1
InChIInChI=1S/C8H11N5O/c1-5-3-7(14-11-5)4-13-6(2)8(9)10-12-13/h3H,4,9H2,1-2H3
InChIKeyGHEGPBZVBUHXGR-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.51
Rot. Bonds2

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

5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine (PubChem CID 79543372) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine
PubChem CID79543372
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine
SMILESCc1cc(Cn2nnc(N)c2C)on1
InChIInChI=1S/C8H11N5O/c1-5-3-7(14-11-5)4-13-6(2)8(9)10-12-13/h3H,4,9H2,1-2H3
InChIKeyGHEGPBZVBUHXGR-UHFFFAOYSA-N
XLogP0.51
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine (CID 79543372) is 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine is Cc1cc(Cn2nnc(N)c2C)on1.
What is the InChIKey of 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine?
The InChIKey is GHEGPBZVBUHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-3-7(14-11-5)4-13-6(2)8(9)10-12-13/h3H,4,9H2,1-2H3.
What are the key properties of 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine?
5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine has a molecular weight of 193.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79543372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).