1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine

C10H14N6O — CID 833772

IUPAC1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCCOc1ccc(CNn2nnnc2N)cc1
InChIInChI=1S/C10H14N6O/c1-2-17-9-5-3-8(4-6-9)7-12-16-10(11)13-14-15-16/h3-6,12H,2,7H2,1H3,(H2,11,13,15)
InChIKeyLXSJELDVHZDYBH-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.40
Rot. Bonds5

About 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 833772) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID833772
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCCOc1ccc(CNn2nnnc2N)cc1
InChIInChI=1S/C10H14N6O/c1-2-17-9-5-3-8(4-6-9)7-12-16-10(11)13-14-15-16/h3-6,12H,2,7H2,1H3,(H2,11,13,15)
InChIKeyLXSJELDVHZDYBH-UHFFFAOYSA-N
XLogP0.40
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine (CID 833772) is 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine is CCOc1ccc(CNn2nnnc2N)cc1.
What is the InChIKey of 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is LXSJELDVHZDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-17-9-5-3-8(4-6-9)7-12-16-10(11)13-14-15-16/h3-6,12H,2,7H2,1H3,(H2,11,13,15).
What are the key properties of 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 234.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 833772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).