[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine

C10H13N5O — CID 82285789

IUPAC[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)n1
InChIInChI=1S/C10H13N5O/c1-7-3-4-9(16-2)8(5-7)15-13-10(6-11)12-14-15/h3-5H,6,11H2,1-2H3
InChIKeyKWHSCUGSSNYGSW-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.44
Rot. Bonds3

About [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine

[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 82285789) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID82285789
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)n1
InChIInChI=1S/C10H13N5O/c1-7-3-4-9(16-2)8(5-7)15-13-10(6-11)12-14-15/h3-5H,6,11H2,1-2H3
InChIKeyKWHSCUGSSNYGSW-UHFFFAOYSA-N
XLogP0.44
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
CID 139023294
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82084697
3-(bromomethyl)-1-(2-methoxy-5-methylphenyl)pyrazole
CID 84617523
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
1-[1-(2-methoxy-5-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760375

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine (CID 82285789) is [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine is COc1ccc(C)cc1-n1nnc(CN)n1.
What is the InChIKey of [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is KWHSCUGSSNYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-3-4-9(16-2)8(5-7)15-13-10(6-11)12-14-15/h3-5H,6,11H2,1-2H3.
What are the key properties of [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 82285789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).