N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine

C12H17N7 — CID 5331183

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
SMILESCCN(CC)c1ccc(/C=N/Nc2nn[nH]n2)cc1
InChIInChI=1S/C12H17N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)/b13-9+
InChIKeyUPIXXZNPLPKAND-UKTHLTGXSA-N
MW259.32 g/mol
LogP1.49
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine (PubChem CID 5331183) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
PubChem CID5331183
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
SMILESCCN(CC)c1ccc(/C=N/Nc2nn[nH]n2)cc1
InChIInChI=1S/C12H17N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)/b13-9+
InChIKeyUPIXXZNPLPKAND-UKTHLTGXSA-N
XLogP1.49
TPSA82.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine (CID 5331183) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine is CCN(CC)c1ccc(/C=N/Nc2nn[nH]n2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
The InChIKey is UPIXXZNPLPKAND-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)/b13-9+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine has a molecular weight of 259.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 5331183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).