(2-tert-butyltetrazol-5-yl)methanol

C6H12N4O — CID 67278374

IUPAC(2-tert-butyltetrazol-5-yl)methanol
SMILESCC(C)(C)n1nnc(CO)n1
InChIInChI=1S/C6H12N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h11H,4H2,1-3H3
InChIKeySUUPRICPWFJSLT-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.08
Rot. Bonds1

About (2-tert-butyltetrazol-5-yl)methanol

(2-tert-butyltetrazol-5-yl)methanol (PubChem CID 67278374) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (2-tert-butyltetrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyltetrazol-5-yl)methanol
PubChem CID67278374
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(2-tert-butyltetrazol-5-yl)methanol
SMILESCC(C)(C)n1nnc(CO)n1
InChIInChI=1S/C6H12N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h11H,4H2,1-3H3
InChIKeySUUPRICPWFJSLT-UHFFFAOYSA-N
XLogP-0.08
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyltetrazol-5-yl)methanol?
The IUPAC name of (2-tert-butyltetrazol-5-yl)methanol (CID 67278374) is (2-tert-butyltetrazol-5-yl)methanol.
What is the SMILES notation for (2-tert-butyltetrazol-5-yl)methanol?
The canonical SMILES for (2-tert-butyltetrazol-5-yl)methanol is CC(C)(C)n1nnc(CO)n1.
What is the InChIKey of (2-tert-butyltetrazol-5-yl)methanol?
The InChIKey is SUUPRICPWFJSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h11H,4H2,1-3H3.
What are the key properties of (2-tert-butyltetrazol-5-yl)methanol?
(2-tert-butyltetrazol-5-yl)methanol has a molecular weight of 156.19 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyltetrazol-5-yl)methanol is sourced from PubChem (CID 67278374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).