1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol

C9H18N4O — CID 130383222

IUPAC1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol
SMILESCCCC(O)n1nnnc1CC(C)C
InChIInChI=1S/C9H18N4O/c1-4-5-9(14)13-8(6-7(2)3)10-11-12-13/h7,9,14H,4-6H2,1-3H3
InChIKeyCZPGOSRPVQBUNC-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.16
Rot. Bonds5

About 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol

1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol (PubChem CID 130383222) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol
PubChem CID130383222
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol
SMILESCCCC(O)n1nnnc1CC(C)C
InChIInChI=1S/C9H18N4O/c1-4-5-9(14)13-8(6-7(2)3)10-11-12-13/h7,9,14H,4-6H2,1-3H3
InChIKeyCZPGOSRPVQBUNC-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol?
The IUPAC name of 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol (CID 130383222) is 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol?
The canonical SMILES for 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol is CCCC(O)n1nnnc1CC(C)C.
What is the InChIKey of 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol?
The InChIKey is CZPGOSRPVQBUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-5-9(14)13-8(6-7(2)3)10-11-12-13/h7,9,14H,4-6H2,1-3H3.
What are the key properties of 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol?
1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol is sourced from PubChem (CID 130383222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).