6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine

C17H20N6O — CID 155193085

IUPAC6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(NCc3nn[nH]n3)cn2)cc1
InChIInChI=1S/C17H20N6O/c1-17(2,3)12-4-7-14(8-5-12)24-16-9-6-13(10-19-16)18-11-15-20-22-23-21-15/h4-10,18H,11H2,1-3H3,(H,20,21,22,23)
InChIKeyVAWBCOONSXWHHE-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.30
Rot. Bonds5

About 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine

6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine (PubChem CID 155193085) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine
PubChem CID155193085
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(NCc3nn[nH]n3)cn2)cc1
InChIInChI=1S/C17H20N6O/c1-17(2,3)12-4-7-14(8-5-12)24-16-9-6-13(10-19-16)18-11-15-20-22-23-21-15/h4-10,18H,11H2,1-3H3,(H,20,21,22,23)
InChIKeyVAWBCOONSXWHHE-UHFFFAOYSA-N
XLogP3.30
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 42691281
5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716
5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 164991107
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-thiophen-2-ylurea
CID 2814277

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine (CID 155193085) is 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine is CC(C)(C)c1ccc(Oc2ccc(NCc3nn[nH]n3)cn2)cc1.
What is the InChIKey of 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine?
The InChIKey is VAWBCOONSXWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2,3)12-4-7-14(8-5-12)24-16-9-6-13(10-19-16)18-11-15-20-22-23-21-15/h4-10,18H,11H2,1-3H3,(H,20,21,22,23).
What are the key properties of 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine?
6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine has a molecular weight of 324.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 155193085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).