1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine

C15H14N6O — CID 5350505

IUPAC1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C15H14N6O/c16-15-18-19-20-21(15)17-10-13-8-4-5-9-14(13)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,16,18,20)/b17-10+
InChIKeyIWKYJCSDMQVZEK-LICLKQGHSA-N
MW294.32 g/mol
LogP1.72
Rot. Bonds5

About 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 5350505) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID5350505
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C15H14N6O/c16-15-18-19-20-21(15)17-10-13-8-4-5-9-14(13)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,16,18,20)/b17-10+
InChIKeyIWKYJCSDMQVZEK-LICLKQGHSA-N
XLogP1.72
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-6-methoxyphenoxy)acetonitrile
CID 6873681
[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5332225
1-[(E)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
N-(5-amino-1H-tetraazol-1-yl)-N-{2-[(4-chlorobenzyl)oxy]benzylidene}amine
CID 6858755
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
N~1~-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-1H-tetrazole-1,5-diamine
CID 5343953
(2Z)-2-[2-(benzyloxy)benzylidene]hydrazinecarbothioamide
CID 5394508
N-(5-amino-1H-tetraazol-1-yl)-N-{3-[(2-chlorobenzyl)oxy]benzylidene}amine
CID 6858757
N''-[4-(benzyloxy)benzylidene]carbonohydrazonic diamide
CID 9568230
N*1*-(3,4-Diethoxy-benzylidene)-tetrazole-1,5-diamine
CID 6858680
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859134
{2-[(5-Amino-tetrazol-1-ylimino)-methyl]-phenoxy}-acetonitrile
CID 9592841

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 5350505) is 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is IWKYJCSDMQVZEK-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N6O/c16-15-18-19-20-21(15)17-10-13-8-4-5-9-14(13)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,16,18,20)/b17-10+.
What are the key properties of 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 294.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5350505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).