1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine

C11H15N7 — CID 6036939

IUPAC1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine
SMILESCCN(C)c1ccc(/C=N\n2nnnc2N)cc1
InChIInChI=1S/C11H15N7/c1-3-17(2)10-6-4-9(5-7-10)8-13-18-11(12)14-15-16-18/h4-8H,3H2,1-2H3,(H2,12,14,16)/b13-8-
InChIKeyLBMZEIPRUNRSFQ-JYRVWZFOSA-N
MW245.29 g/mol
LogP0.59
Rot. Bonds4

About 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine

1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6036939) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine
PubChem CID6036939
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine
SMILESCCN(C)c1ccc(/C=N\n2nnnc2N)cc1
InChIInChI=1S/C11H15N7/c1-3-17(2)10-6-4-9(5-7-10)8-13-18-11(12)14-15-16-18/h4-8H,3H2,1-2H3,(H2,12,14,16)/b13-8-
InChIKeyLBMZEIPRUNRSFQ-JYRVWZFOSA-N
XLogP0.59
TPSA85.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.59
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-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine (CID 6036939) is 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine is CCN(C)c1ccc(/C=N\n2nnnc2N)cc1.
What is the InChIKey of 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is LBMZEIPRUNRSFQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H15N7/c1-3-17(2)10-6-4-9(5-7-10)8-13-18-11(12)14-15-16-18/h4-8H,3H2,1-2H3,(H2,12,14,16)/b13-8-.
What are the key properties of 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine?
1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 245.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-[ethyl(methyl)amino]phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6036939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).