4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol

C7H15N5O2 — CID 106157656

IUPAC4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1nnnn1C
InChIInChI=1S/C7H15N5O2/c1-12-7(9-10-11-12)8-6(3-4-13)5-14-2/h6,13H,3-5H2,1-2H3,(H,8,9,11)
InChIKeyIUOGRRDHZAXVET-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.98
Rot. Bonds6

About 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol

4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol (PubChem CID 106157656) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol
PubChem CID106157656
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1nnnn1C
InChIInChI=1S/C7H15N5O2/c1-12-7(9-10-11-12)8-6(3-4-13)5-14-2/h6,13H,3-5H2,1-2H3,(H,8,9,11)
InChIKeyIUOGRRDHZAXVET-UHFFFAOYSA-N
XLogP-0.98
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol (CID 106157656) is 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol is COCC(CCO)Nc1nnnn1C.
What is the InChIKey of 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The InChIKey is IUOGRRDHZAXVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-12-7(9-10-11-12)8-6(3-4-13)5-14-2/h6,13H,3-5H2,1-2H3,(H,8,9,11).
What are the key properties of 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol has a molecular weight of 201.23 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 106157656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).