2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline

C10H13N5O — CID 131303852

IUPAC2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
SMILESCC(C)Oc1ccc(-c2nn[nH]n2)cc1N
InChIInChI=1S/C10H13N5O/c1-6(2)16-9-4-3-7(5-8(9)11)10-12-14-15-13-10/h3-6H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyYNICVNGBKJUNBG-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.24
Rot. Bonds3

About 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline

2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline (PubChem CID 131303852) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
PubChem CID131303852
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
SMILESCC(C)Oc1ccc(-c2nn[nH]n2)cc1N
InChIInChI=1S/C10H13N5O/c1-6(2)16-9-4-3-7(5-8(9)11)10-12-14-15-13-10/h3-6H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyYNICVNGBKJUNBG-UHFFFAOYSA-N
XLogP1.24
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 135648881
1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine
CID 163983835
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
3-amino-4-propan-2-yloxybenzenethiol
CID 155017605
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
2,5-di(propan-2-yloxy)aniline
CID 18997718
5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
CID 83966904
5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
CID 82144258
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
6-(2H-tetrazol-5-yl)-1H-indazol-3-amine
CID 174058892

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline (CID 131303852) is 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline is CC(C)Oc1ccc(-c2nn[nH]n2)cc1N.
What is the InChIKey of 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline?
The InChIKey is YNICVNGBKJUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6(2)16-9-4-3-7(5-8(9)11)10-12-14-15-13-10/h3-6H,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline?
2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline has a molecular weight of 219.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 131303852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).