1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine

C10H13N7 — CID 6859445

IUPAC1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine
SMILESCN(C)c1ccc(/C=N/n2nnnc2N)cc1
InChIInChI=1S/C10H13N7/c1-16(2)9-5-3-8(4-6-9)7-12-17-10(11)13-14-15-17/h3-7H,1-2H3,(H2,11,13,15)/b12-7+
InChIKeyWHXPQFMWYXYNKI-KPKJPENVSA-N
MW231.26 g/mol
LogP0.20
Rot. Bonds3

About 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine

1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6859445) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine
PubChem CID6859445
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine
SMILESCN(C)c1ccc(/C=N/n2nnnc2N)cc1
InChIInChI=1S/C10H13N7/c1-16(2)9-5-3-8(4-6-9)7-12-17-10(11)13-14-15-17/h3-7H,1-2H3,(H2,11,13,15)/b12-7+
InChIKeyWHXPQFMWYXYNKI-KPKJPENVSA-N
XLogP0.20
TPSA85.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine (CID 6859445) is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine is CN(C)c1ccc(/C=N/n2nnnc2N)cc1.
What is the InChIKey of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is WHXPQFMWYXYNKI-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13N7/c1-16(2)9-5-3-8(4-6-9)7-12-17-10(11)13-14-15-17/h3-7H,1-2H3,(H2,11,13,15)/b12-7+.
What are the key properties of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine?
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 231.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).