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

C9H18N4O — CID 107045909

IUPAC3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(CC)C(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O/c1-4-7(5-2)8(14)6-9-10-12-13(3)11-9/h7-8,14H,4-6H2,1-3H3
InChIKeyJJOLHXCKZUNTLB-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.55
Rot. Bonds5

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

3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107045909) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107045909
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(CC)C(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O/c1-4-7(5-2)8(14)6-9-10-12-13(3)11-9/h7-8,14H,4-6H2,1-3H3
InChIKeyJJOLHXCKZUNTLB-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107045909) is 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is CCC(CC)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is JJOLHXCKZUNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-7(5-2)8(14)6-9-10-12-13(3)11-9/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107045909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).