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

C7H15N5O — CID 66106215

IUPAC3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol
SMILESCC(CCO)CNc1nnnn1C
InChIInChI=1S/C7H15N5O/c1-6(3-4-13)5-8-7-9-10-11-12(7)2/h6,13H,3-5H2,1-2H3,(H,8,9,11)
InChIKeyHBHRUTBONKYVNI-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.36
Rot. Bonds5

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

3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol (PubChem CID 66106215) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol
PubChem CID66106215
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol
SMILESCC(CCO)CNc1nnnn1C
InChIInChI=1S/C7H15N5O/c1-6(3-4-13)5-8-7-9-10-11-12(7)2/h6,13H,3-5H2,1-2H3,(H,8,9,11)
InChIKeyHBHRUTBONKYVNI-UHFFFAOYSA-N
XLogP-0.36
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol (CID 66106215) is 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol is CC(CCO)CNc1nnnn1C.
What is the InChIKey of 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
The InChIKey is HBHRUTBONKYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-6(3-4-13)5-8-7-9-10-11-12(7)2/h6,13H,3-5H2,1-2H3,(H,8,9,11).
What are the key properties of 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol?
3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol has a molecular weight of 185.23 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methyltetrazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 66106215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).