methane;1-methoxybenzotriazole

C8H11N3O — CID 161160564

IUPACmethane;1-methoxybenzotriazole
SMILESC.COn1nnc2ccccc21
InChIInChI=1S/C7H7N3O.CH4/c1-11-10-7-5-3-2-4-6(7)8-9-10;/h2-5H,1H3;1H4
InChIKeyUPWBRKNEJIXSNG-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.13
Rot. Bonds1

About methane;1-methoxybenzotriazole

methane;1-methoxybenzotriazole (PubChem CID 161160564) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is methane;1-methoxybenzotriazole.

Molecular Properties

Compound Namemethane;1-methoxybenzotriazole
PubChem CID161160564
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Namemethane;1-methoxybenzotriazole
SMILESC.COn1nnc2ccccc21
InChIInChI=1S/C7H7N3O.CH4/c1-11-10-7-5-3-2-4-6(7)8-9-10;/h2-5H,1H3;1H4
InChIKeyUPWBRKNEJIXSNG-UHFFFAOYSA-N
XLogP1.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
CID 141407796
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115
CID 68739763
CID 68739763
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998
benzotriazol-1-yloxy-tert-butyl-diphenylsilane
CID 71061634
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
benzotriazol-1-yl(trimethyl)stannane
CID 165357783

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxybenzotriazole?
The IUPAC name of methane;1-methoxybenzotriazole (CID 161160564) is methane;1-methoxybenzotriazole.
What is the SMILES notation for methane;1-methoxybenzotriazole?
The canonical SMILES for methane;1-methoxybenzotriazole is C.COn1nnc2ccccc21.
What is the InChIKey of methane;1-methoxybenzotriazole?
The InChIKey is UPWBRKNEJIXSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.CH4/c1-11-10-7-5-3-2-4-6(7)8-9-10;/h2-5H,1H3;1H4.
What are the key properties of methane;1-methoxybenzotriazole?
methane;1-methoxybenzotriazole has a molecular weight of 165.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxybenzotriazole is sourced from PubChem (CID 161160564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).