3-(1-methyltetrazol-5-yl)butan-2-ol

C6H12N4O — CID 63204940

IUPAC3-(1-methyltetrazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nnnn1C
InChIInChI=1S/C6H12N4O/c1-4(5(2)11)6-7-8-9-10(6)3/h4-5,11H,1-3H3
InChIKeyWCPNRTMETQJPKD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.31
Rot. Bonds2

About 3-(1-methyltetrazol-5-yl)butan-2-ol

3-(1-methyltetrazol-5-yl)butan-2-ol (PubChem CID 63204940) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)butan-2-ol
PubChem CID63204940
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name3-(1-methyltetrazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nnnn1C
InChIInChI=1S/C6H12N4O/c1-4(5(2)11)6-7-8-9-10(6)3/h4-5,11H,1-3H3
InChIKeyWCPNRTMETQJPKD-UHFFFAOYSA-N
XLogP-0.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)butan-2-ol?
The IUPAC name of 3-(1-methyltetrazol-5-yl)butan-2-ol (CID 63204940) is 3-(1-methyltetrazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)butan-2-ol is CC(O)C(C)c1nnnn1C.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)butan-2-ol?
The InChIKey is WCPNRTMETQJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(5(2)11)6-7-8-9-10(6)3/h4-5,11H,1-3H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)butan-2-ol?
3-(1-methyltetrazol-5-yl)butan-2-ol has a molecular weight of 156.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)butan-2-ol is sourced from PubChem (CID 63204940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).