1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine

C17H13N7 — CID 5202721

IUPAC1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine
SMILESC(=NNc1nnnn1-c1cccc2ccccc12)c1ccncc1
InChIInChI=1S/C17H13N7/c1-2-6-15-14(4-1)5-3-7-16(15)24-17(21-22-23-24)20-19-12-13-8-10-18-11-9-13/h1-12H,(H,20,21,23)
InChIKeyQIJRFRBMVWZFMK-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.66
Rot. Bonds4

About 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine

1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine (PubChem CID 5202721) has the molecular formula C17H13N7 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine
PubChem CID5202721
Molecular FormulaC17H13N7
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine
SMILESC(=NNc1nnnn1-c1cccc2ccccc12)c1ccncc1
InChIInChI=1S/C17H13N7/c1-2-6-15-14(4-1)5-3-7-16(15)24-17(21-22-23-24)20-19-12-13-8-10-18-11-9-13/h1-12H,(H,20,21,23)
InChIKeyQIJRFRBMVWZFMK-UHFFFAOYSA-N
XLogP2.66
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine?
The IUPAC name of 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine (CID 5202721) is 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine.
What is the SMILES notation for 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine?
The canonical SMILES for 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine is C(=NNc1nnnn1-c1cccc2ccccc12)c1ccncc1.
What is the InChIKey of 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine?
The InChIKey is QIJRFRBMVWZFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7/c1-2-6-15-14(4-1)5-3-7-16(15)24-17(21-22-23-24)20-19-12-13-8-10-18-11-9-13/h1-12H,(H,20,21,23).
What are the key properties of 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine?
1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine has a molecular weight of 315.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine is sourced from PubChem (CID 5202721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).