N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine

C16H17N7 — CID 42588747

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine
SMILESCN(C)c1ccc(/C=N\Nc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H17N7/c1-22(2)14-10-8-13(9-11-14)12-17-18-16-19-20-21-23(16)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,18,19,21)/b17-12-
InChIKeyZTYGFDURYCGQRN-ATVHPVEESA-N
MW307.36 g/mol
LogP2.17
Rot. Bonds5

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine (PubChem CID 42588747) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine
PubChem CID42588747
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine
SMILESCN(C)c1ccc(/C=N\Nc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H17N7/c1-22(2)14-10-8-13(9-11-14)12-17-18-16-19-20-21-23(16)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,18,19,21)/b17-12-
InChIKeyZTYGFDURYCGQRN-ATVHPVEESA-N
XLogP2.17
TPSA71.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'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 N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine (CID 42588747) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine is CN(C)c1ccc(/C=N\Nc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine?
The InChIKey is ZTYGFDURYCGQRN-ATVHPVEESA-N. The full InChI is InChI=1S/C16H17N7/c1-22(2)14-10-8-13(9-11-14)12-17-18-16-19-20-21-23(16)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,18,19,21)/b17-12-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine has a molecular weight of 307.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 42588747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).