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

C8H16N4O — CID 164659191

IUPAC3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(C)C(C)(O)c1nnnn1C
InChIInChI=1S/C8H16N4O/c1-5-6(2)8(3,13)7-9-10-11-12(7)4/h6,13H,5H2,1-4H3
InChIKeyNSMGZCPWTXCOOI-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.46
Rot. Bonds3

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

3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 164659191) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol
PubChem CID164659191
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(C)C(C)(O)c1nnnn1C
InChIInChI=1S/C8H16N4O/c1-5-6(2)8(3,13)7-9-10-11-12(7)4/h6,13H,5H2,1-4H3
InChIKeyNSMGZCPWTXCOOI-UHFFFAOYSA-N
XLogP0.46
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-bis(1-methyltetrazol-5-yl)ethanol
CID 119098788
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
CID 63719018
2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
CID 115015041
5-(2-chloropentan-3-yl)-1-methyltetrazole
CID 63202888
2-(1-methyltetrazol-5-yl)pentan-3-amine
CID 63550008
3-methyl-2-phenylpentan-2-ol
CID 13024634
(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
CID 59036874
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
CID 161464390
2-(1-methyltetrazol-5-yl)pentan-3-one
CID 63550163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol (CID 164659191) is 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol is CCC(C)C(C)(O)c1nnnn1C.
What is the InChIKey of 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is NSMGZCPWTXCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5-6(2)8(3,13)7-9-10-11-12(7)4/h6,13H,5H2,1-4H3.
What are the key properties of 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol?
3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 164659191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).