1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine

C10H14N6O — CID 833834

IUPAC1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCCOc1ccccc1CNn1nnnc1N
InChIInChI=1S/C10H14N6O/c1-2-17-9-6-4-3-5-8(9)7-12-16-10(11)13-14-15-16/h3-6,12H,2,7H2,1H3,(H2,11,13,15)
InChIKeyUKEHAMKVPICBAU-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.40
Rot. Bonds5

About 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 833834) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID833834
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCCOc1ccccc1CNn1nnnc1N
InChIInChI=1S/C10H14N6O/c1-2-17-9-6-4-3-5-8(9)7-12-16-10(11)13-14-15-16/h3-6,12H,2,7H2,1H3,(H2,11,13,15)
InChIKeyUKEHAMKVPICBAU-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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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 2193446
1-[(E)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 833835
1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
CID 2214872
N*1*-(2-Allyloxy-3-methoxy-benzyl)-tetrazole-1,5-diamine
CID 3155255
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
5-(2-Methoxyphenyl)-1H-tetrazole
CID 858908
N~1~-[2-(allyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 2214282
N~1~-(4-ethoxybenzyl)-1H-tetraazole-1,5-diamine
CID 833772
N-(5-amino-1H-tetraazol-1-yl)-N-(2-isopropoxybenzylidene)amine
CID 6858669

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine (CID 833834) is 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine is CCOc1ccccc1CNn1nnnc1N.
What is the InChIKey of 1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is UKEHAMKVPICBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-17-9-6-4-3-5-8(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-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(2-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-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 833834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).