N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine

C19H14N6O2 — CID 6069357

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine
SMILESC(=N\Nc1nnnn1-c1cccc2ccccc12)\c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N6O2/c1-2-6-15-14(4-1)5-3-7-16(15)25-19(22-23-24-25)21-20-11-13-8-9-17-18(10-13)27-12-26-17/h1-11H,12H2,(H,21,22,24)/b20-11-
InChIKeyVTDCSKXQEUULRF-JAIQZWGSSA-N
MW358.36 g/mol
LogP2.99
Rot. Bonds4

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine (PubChem CID 6069357) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine
PubChem CID6069357
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine
SMILESC(=N\Nc1nnnn1-c1cccc2ccccc12)\c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N6O2/c1-2-6-15-14(4-1)5-3-7-16(15)25-19(22-23-24-25)21-20-11-13-8-9-17-18(10-13)27-12-26-17/h1-11H,12H2,(H,21,22,24)/b20-11-
InChIKeyVTDCSKXQEUULRF-JAIQZWGSSA-N
XLogP2.99
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 135799290
1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine
CID 5202721
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-hexyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265649
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
2-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-N-benzyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56691085
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
CID 75534449
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,2-benzothiazol-3-yl)acetamide
CID 10593164
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
5-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-1,3-benzodioxole
CID 6902899
3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135548685
3-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773801

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine (CID 6069357) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine is C(=N\Nc1nnnn1-c1cccc2ccccc12)\c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine?
The InChIKey is VTDCSKXQEUULRF-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-2-6-15-14(4-1)5-3-7-16(15)25-19(22-23-24-25)21-20-11-13-8-9-17-18(10-13)27-12-26-17/h1-11H,12H2,(H,21,22,24)/b20-11-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine has a molecular weight of 358.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine is sourced from PubChem (CID 6069357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).