4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline

C12H13N7O — CID 79779039

IUPAC4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nnnn2-c2cnn(C)c2)c1
InChIInChI=1S/C12H13N7O/c1-18-7-8(6-14-18)19-12(15-16-17-19)10-5-9(20-2)3-4-11(10)13/h3-7H,13H2,1-2H3
InChIKeyVOZFPTVFJBKWOS-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.65
Rot. Bonds3

About 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline

4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline (PubChem CID 79779039) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
PubChem CID79779039
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nnnn2-c2cnn(C)c2)c1
InChIInChI=1S/C12H13N7O/c1-18-7-8(6-14-18)19-12(15-16-17-19)10-5-9(20-2)3-4-11(10)13/h3-7H,13H2,1-2H3
InChIKeyVOZFPTVFJBKWOS-UHFFFAOYSA-N
XLogP0.65
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline (CID 79779039) is 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline is COc1ccc(N)c(-c2nnnn2-c2cnn(C)c2)c1.
What is the InChIKey of 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
The InChIKey is VOZFPTVFJBKWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-18-7-8(6-14-18)19-12(15-16-17-19)10-5-9(20-2)3-4-11(10)13/h3-7H,13H2,1-2H3.
What are the key properties of 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline?
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline has a molecular weight of 271.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 79779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).