N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine

C11H15N5O2 — CID 4725750

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1cccc(CNc2nnnn2C)c1OC
InChIInChI=1S/C11H15N5O2/c1-16-11(13-14-15-16)12-7-8-5-4-6-9(17-2)10(8)18-3/h4-6H,7H2,1-3H3,(H,12,13,15)
InChIKeyVDQOXCHGOFIDFN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.84
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725750) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725750
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1cccc(CNc2nnnn2C)c1OC
InChIInChI=1S/C11H15N5O2/c1-16-11(13-14-15-16)12-7-8-5-4-6-9(17-2)10(8)18-3/h4-6H,7H2,1-3H3,(H,12,13,15)
InChIKeyVDQOXCHGOFIDFN-UHFFFAOYSA-N
XLogP0.84
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4725750) is N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine is COc1cccc(CNc2nnnn2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is VDQOXCHGOFIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-11(13-14-15-16)12-7-8-5-4-6-9(17-2)10(8)18-3/h4-6H,7H2,1-3H3,(H,12,13,15).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 249.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).