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

C8H16N4O — CID 107057781

IUPAC3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
SMILESCC(C)C(CO)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O/c1-6(2)7(5-13)4-8-9-11-12(3)10-8/h6-7,13H,4-5H2,1-3H3
InChIKeyPVEUVXYZKHCWPS-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.02
Rot. Bonds4

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

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol (PubChem CID 107057781) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
PubChem CID107057781
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
SMILESCC(C)C(CO)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O/c1-6(2)7(5-13)4-8-9-11-12(3)10-8/h6-7,13H,4-5H2,1-3H3
InChIKeyPVEUVXYZKHCWPS-UHFFFAOYSA-N
XLogP0.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057854
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
1-(4-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047858
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol (CID 107057781) is 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol is CC(C)C(CO)Cc1nnn(C)n1.
What is the InChIKey of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol?
The InChIKey is PVEUVXYZKHCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(2)7(5-13)4-8-9-11-12(3)10-8/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol?
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol is sourced from PubChem (CID 107057781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).