1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine

C12H10N6 — CID 3517889

IUPAC1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
SMILESNc1nnnn1N=Cc1cccc2ccccc12
InChIInChI=1S/C12H10N6/c13-12-15-16-17-18(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,13,15,17)
InChIKeyYDGKBZFVLQKBPR-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.29
Rot. Bonds2

About 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine

1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine (PubChem CID 3517889) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
PubChem CID3517889
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
SMILESNc1nnnn1N=Cc1cccc2ccccc12
InChIInChI=1S/C12H10N6/c13-12-15-16-17-18(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,13,15,17)
InChIKeyYDGKBZFVLQKBPR-UHFFFAOYSA-N
XLogP1.29
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine?
The IUPAC name of 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine (CID 3517889) is 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine.
What is the SMILES notation for 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine?
The canonical SMILES for 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine is Nc1nnnn1N=Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine?
The InChIKey is YDGKBZFVLQKBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-12-15-16-17-18(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,13,15,17).
What are the key properties of 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine?
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine has a molecular weight of 238.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine is sourced from PubChem (CID 3517889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).