1-(oxiren-2-ylmethyl)-1,2,4-triazole

C5H5N3O — CID 68765220

IUPAC1-(oxiren-2-ylmethyl)-1,2,4-triazole
SMILESC1=C(Cn2cncn2)O1
InChIInChI=1S/C5H5N3O/c1(5-2-9-5)8-4-6-3-7-8/h2-4H,1H2
InChIKeyNIEPYEZSCYPAOE-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.15
Rot. Bonds2

About 1-(oxiren-2-ylmethyl)-1,2,4-triazole

1-(oxiren-2-ylmethyl)-1,2,4-triazole (PubChem CID 68765220) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 1-(oxiren-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(oxiren-2-ylmethyl)-1,2,4-triazole
PubChem CID68765220
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name1-(oxiren-2-ylmethyl)-1,2,4-triazole
SMILESC1=C(Cn2cncn2)O1
InChIInChI=1S/C5H5N3O/c1(5-2-9-5)8-4-6-3-7-8/h2-4H,1H2
InChIKeyNIEPYEZSCYPAOE-UHFFFAOYSA-N
XLogP0.15
TPSA43.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 89157441
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098
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
4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 164652226
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
1,2,4-triazol-1-ylmethylsilane
CID 123456022
1,2,4-triazol-1-ylmethylphosphane
CID 67877171
2,5-bis[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole
CID 102089796
N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 107557738
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898

Frequently Asked Questions

What is the IUPAC name of 1-(oxiren-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 1-(oxiren-2-ylmethyl)-1,2,4-triazole (CID 68765220) is 1-(oxiren-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(oxiren-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 1-(oxiren-2-ylmethyl)-1,2,4-triazole is C1=C(Cn2cncn2)O1.
What is the InChIKey of 1-(oxiren-2-ylmethyl)-1,2,4-triazole?
The InChIKey is NIEPYEZSCYPAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c1(5-2-9-5)8-4-6-3-7-8/h2-4H,1H2.
What are the key properties of 1-(oxiren-2-ylmethyl)-1,2,4-triazole?
1-(oxiren-2-ylmethyl)-1,2,4-triazole has a molecular weight of 123.11 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiren-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 68765220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).