2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol

C6H12N4O — CID 107057756

IUPAC2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
SMILESCC(CO)Cc1nnn(C)n1
InChIInChI=1S/C6H12N4O/c1-5(4-11)3-6-7-9-10(2)8-6/h5,11H,3-4H2,1-2H3
InChIKeyYYPHRWOUBHGMIA-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.62
Rot. Bonds3

About 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol

2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol (PubChem CID 107057756) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
PubChem CID107057756
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
SMILESCC(CO)Cc1nnn(C)n1
InChIInChI=1S/C6H12N4O/c1-5(4-11)3-6-7-9-10(2)8-6/h5,11H,3-4H2,1-2H3
InChIKeyYYPHRWOUBHGMIA-UHFFFAOYSA-N
XLogP-0.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
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-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
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-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
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
4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol (CID 107057756) is 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol is CC(CO)Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol?
The InChIKey is YYPHRWOUBHGMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-5(4-11)3-6-7-9-10(2)8-6/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol?
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol has a molecular weight of 156.19 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 107057756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).