(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone

C8H11N3O2 — CID 130521398

IUPAC(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
SMILESCn1ncc(C(=O)C2CCOC2)n1
InChIInChI=1S/C8H11N3O2/c1-11-9-4-7(10-11)8(12)6-2-3-13-5-6/h4,6H,2-3,5H2,1H3
InChIKeyMNJKYOQUGLTXBQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.03
Rot. Bonds2

About (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone

(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone (PubChem CID 130521398) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
PubChem CID130521398
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
SMILESCn1ncc(C(=O)C2CCOC2)n1
InChIInChI=1S/C8H11N3O2/c1-11-9-4-7(10-11)8(12)6-2-3-13-5-6/h4,6H,2-3,5H2,1H3
InChIKeyMNJKYOQUGLTXBQ-UHFFFAOYSA-N
XLogP0.03
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
CID 126976704
(5-bromo-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
CID 131204047
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 114685879
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
CID 130603335
(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone
CID 130625566
(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone
CID 130244369
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
CID 130571308
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
CID 82868765
(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
CID 107138570

Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone (CID 130521398) is (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone is Cn1ncc(C(=O)C2CCOC2)n1.
What is the InChIKey of (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
The InChIKey is MNJKYOQUGLTXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-9-4-7(10-11)8(12)6-2-3-13-5-6/h4,6H,2-3,5H2,1H3.
What are the key properties of (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltriazol-4-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 130521398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).