1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol

C8H16N4O2 — CID 107046055

IUPAC1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
SMILESCCC(O)(COC)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O2/c1-4-8(13,6-14-3)5-7-9-11-12(2)10-7/h13H,4-6H2,1-3H3
InChIKeyCKMNYSOEFLYCMI-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.46
Rot. Bonds5

About 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol

1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol (PubChem CID 107046055) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
PubChem CID107046055
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
SMILESCCC(O)(COC)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O2/c1-4-8(13,6-14-3)5-7-9-11-12(2)10-7/h13H,4-6H2,1-3H3
InChIKeyCKMNYSOEFLYCMI-UHFFFAOYSA-N
XLogP-0.46
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
The IUPAC name of 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol (CID 107046055) is 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol.
What is the SMILES notation for 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
The canonical SMILES for 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol is CCC(O)(COC)Cc1nnn(C)n1.
What is the InChIKey of 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
The InChIKey is CKMNYSOEFLYCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-4-8(13,6-14-3)5-7-9-11-12(2)10-7/h13H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol has a molecular weight of 200.24 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol is sourced from PubChem (CID 107046055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).