1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine

C18H13BrN6 — CID 5499247

IUPAC1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
SMILESBrc1cccc(/C=N\n2nnnc2Nc2cccc3ccccc23)c1
InChIInChI=1S/C18H13BrN6/c19-15-8-3-5-13(11-15)12-20-25-18(22-23-24-25)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,21,22,24)/b20-12-
InChIKeySWLIQPPQJQKSOE-NDENLUEZSA-N
MW393.25 g/mol
LogP4.21
Rot. Bonds4

About 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine

1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine (PubChem CID 5499247) has the molecular formula C18H13BrN6 and a molecular weight of 393.25 g/mol. Its IUPAC name is 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
PubChem CID5499247
Molecular FormulaC18H13BrN6
Molecular Weight393.25 g/mol
Exact Mass392.04
IUPAC Name1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
SMILESBrc1cccc(/C=N\n2nnnc2Nc2cccc3ccccc23)c1
InChIInChI=1S/C18H13BrN6/c19-15-8-3-5-13(11-15)12-20-25-18(22-23-24-25)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,21,22,24)/b20-12-
InChIKeySWLIQPPQJQKSOE-NDENLUEZSA-N
XLogP4.21
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 23959036
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 6164392
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1224695
6-bromo-N-naphthalen-1-yltriazin-4-amine
CID 174919702
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
CID 3517889
3-N-[(E)-(3-bromophenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine
CID 45042743
N-[(3-bromophenyl)methylideneamino]-2-[[5-[(naphthalen-1-ylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5153659
1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
CID 23877559
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
CID 63874030

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The IUPAC name of 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine (CID 5499247) is 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The canonical SMILES for 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine is Brc1cccc(/C=N\n2nnnc2Nc2cccc3ccccc23)c1.
What is the InChIKey of 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The InChIKey is SWLIQPPQJQKSOE-NDENLUEZSA-N. The full InChI is InChI=1S/C18H13BrN6/c19-15-8-3-5-13(11-15)12-20-25-18(22-23-24-25)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,21,22,24)/b20-12-.
What are the key properties of 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine has a molecular weight of 393.25 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine is sourced from PubChem (CID 5499247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).