3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole

C6H6N4O — CID 89157441

IUPAC3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
SMILESc1ncn(Cc2ccon2)n1
InChIInChI=1S/C6H6N4O/c1-2-11-9-6(1)3-10-5-7-4-8-10/h1-2,4-5H,3H2
InChIKeyVTJLEYDARVVXQT-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.31
Rot. Bonds2

About 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole

3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole (PubChem CID 89157441) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
PubChem CID89157441
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
SMILESc1ncn(Cc2ccon2)n1
InChIInChI=1S/C6H6N4O/c1-2-11-9-6(1)3-10-5-7-4-8-10/h1-2,4-5H,3H2
InChIKeyVTJLEYDARVVXQT-UHFFFAOYSA-N
XLogP0.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
3-chloro-6-(1,2,4-triazol-1-ylmethyl)pyridazine
CID 104513846
4-(1,2,4-triazol-1-ylmethyl)aniline
CID 821219
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
CID 7162035
[5-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764015
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
2,5-bis[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole
CID 102089796
2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
CID 19432609
3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 54024148
1,2-oxazol-3-ylmethanethiol
CID 15646083
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 15074731

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole (CID 89157441) is 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole is c1ncn(Cc2ccon2)n1.
What is the InChIKey of 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is VTJLEYDARVVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-2-11-9-6(1)3-10-5-7-4-8-10/h1-2,4-5H,3H2.
What are the key properties of 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 150.14 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 89157441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).