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

C8H17N5O2 — CID 106253611

IUPAC4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nnnn1C
InChIInChI=1S/C8H17N5O2/c1-8(14,4-5-15-3)6-9-7-10-11-12-13(7)2/h14H,4-6H2,1-3H3,(H,9,10,12)
InChIKeyUZRNJPRGEHCQTA-UHFFFAOYSA-N
MW215.26 g/mol
LogP-0.59
Rot. Bonds6

About 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol (PubChem CID 106253611) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol
PubChem CID106253611
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nnnn1C
InChIInChI=1S/C8H17N5O2/c1-8(14,4-5-15-3)6-9-7-10-11-12-13(7)2/h14H,4-6H2,1-3H3,(H,9,10,12)
InChIKeyUZRNJPRGEHCQTA-UHFFFAOYSA-N
XLogP-0.59
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol (CID 106253611) is 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol is COCCC(C)(O)CNc1nnnn1C.
What is the InChIKey of 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
The InChIKey is UZRNJPRGEHCQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c1-8(14,4-5-15-3)6-9-7-10-11-12-13(7)2/h14H,4-6H2,1-3H3,(H,9,10,12).
What are the key properties of 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol has a molecular weight of 215.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(1-methyltetrazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 106253611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).