(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine

C12H15N5O — CID 5367722

IUPAC(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
SMILESCOc1ccc(-n2nnnc2/C=C/N(C)C)cc1
InChIInChI=1S/C12H15N5O/c1-16(2)9-8-12-13-14-15-17(12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3/b9-8+
InChIKeyBLJHZKUBNIHGJT-CMDGGOBGSA-N
MW245.29 g/mol
LogP1.20
Rot. Bonds4

About (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine

(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine (PubChem CID 5367722) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
PubChem CID5367722
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
SMILESCOc1ccc(-n2nnnc2/C=C/N(C)C)cc1
InChIInChI=1S/C12H15N5O/c1-16(2)9-8-12-13-14-15-17(12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3/b9-8+
InChIKeyBLJHZKUBNIHGJT-CMDGGOBGSA-N
XLogP1.20
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine (CID 5367722) is (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine is COc1ccc(-n2nnnc2/C=C/N(C)C)cc1.
What is the InChIKey of (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
The InChIKey is BLJHZKUBNIHGJT-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16(2)9-8-12-13-14-15-17(12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3/b9-8+.
What are the key properties of (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine has a molecular weight of 245.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 5367722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).