N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine

C11H15N7 — CID 90078493

IUPACN-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine
SMILESC/C(=N\Nc1nn[nH]n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H15N7/c1-8(12-13-11-14-16-17-15-11)9-4-6-10(7-5-9)18(2)3/h4-7H,1-3H3,(H2,13,14,15,16,17)/b12-8+
InChIKeyWBOYLLWMHDJWJN-XYOKQWHBSA-N
MW245.29 g/mol
LogP1.10
Rot. Bonds4

About N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine

N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine (PubChem CID 90078493) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine
PubChem CID90078493
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine
SMILESC/C(=N\Nc1nn[nH]n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H15N7/c1-8(12-13-11-14-16-17-15-11)9-4-6-10(7-5-9)18(2)3/h4-7H,1-3H3,(H2,13,14,15,16,17)/b12-8+
InChIKeyWBOYLLWMHDJWJN-XYOKQWHBSA-N
XLogP1.10
TPSA82.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine (CID 90078493) is N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine is C/C(=N\Nc1nn[nH]n1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine?
The InChIKey is WBOYLLWMHDJWJN-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N7/c1-8(12-13-11-14-16-17-15-11)9-4-6-10(7-5-9)18(2)3/h4-7H,1-3H3,(H2,13,14,15,16,17)/b12-8+.
What are the key properties of N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine?
N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine has a molecular weight of 245.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 90078493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).