N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine

C10H13N5O2 — CID 592205

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(CNc2nn[nH]n2)cc1OC
InChIInChI=1S/C10H13N5O2/c1-16-8-4-3-7(5-9(8)17-2)6-11-10-12-14-15-13-10/h3-5H,6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyRRKZUAPYBFRDPS-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.83
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 592205) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID592205
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(CNc2nn[nH]n2)cc1OC
InChIInChI=1S/C10H13N5O2/c1-16-8-4-3-7(5-9(8)17-2)6-11-10-12-14-15-13-10/h3-5H,6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyRRKZUAPYBFRDPS-UHFFFAOYSA-N
XLogP0.83
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 592205) is N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine is COc1ccc(CNc2nn[nH]n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is RRKZUAPYBFRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-16-8-4-3-7(5-9(8)17-2)6-11-10-12-14-15-13-10/h3-5H,6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 235.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 592205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).