1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine

C10H13N5O2 — CID 79506309

IUPAC1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCOc1ccc(Cn2nnnc2N)cc1OC
InChIInChI=1S/C10H13N5O2/c1-16-8-4-3-7(5-9(8)17-2)6-15-10(11)12-13-14-15/h3-5H,6H2,1-2H3,(H2,11,12,14)
InChIKeyAJCNYTDEYKMDEM-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.32
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine

1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine (PubChem CID 79506309) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
PubChem CID79506309
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCOc1ccc(Cn2nnnc2N)cc1OC
InChIInChI=1S/C10H13N5O2/c1-16-8-4-3-7(5-9(8)17-2)6-15-10(11)12-13-14-15/h3-5H,6H2,1-2H3,(H2,11,12,14)
InChIKeyAJCNYTDEYKMDEM-UHFFFAOYSA-N
XLogP0.32
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-amine
CID 79505932
4-bromo-1-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
CID 61175429
1-[(3-nitrophenyl)methyl]tetrazol-5-amine
CID 777340
1-(3-bromo-4-methoxyphenyl)tetrazol-5-amine
CID 79507108
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 55551241
1-benzyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazine
CID 3210595
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4725530
1-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950166

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine (CID 79506309) is 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine is COc1ccc(Cn2nnnc2N)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine?
The InChIKey is AJCNYTDEYKMDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-16-8-4-3-7(5-9(8)17-2)6-15-10(11)12-13-14-15/h3-5H,6H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine?
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine has a molecular weight of 235.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 79506309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).