2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline

C13H15N7O — CID 79781757

IUPAC2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
SMILESCCOc1ccc(-c2nnnn2-c2ccn(C)n2)cc1N
InChIInChI=1S/C13H15N7O/c1-3-21-11-5-4-9(8-10(11)14)13-15-17-18-20(13)12-6-7-19(2)16-12/h4-8H,3,14H2,1-2H3
InChIKeyFYRVEKIHNOKIKS-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.04
Rot. Bonds4

About 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline

2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline (PubChem CID 79781757) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
PubChem CID79781757
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
SMILESCCOc1ccc(-c2nnnn2-c2ccn(C)n2)cc1N
InChIInChI=1S/C13H15N7O/c1-3-21-11-5-4-9(8-10(11)14)13-15-17-18-20(13)12-6-7-19(2)16-12/h4-8H,3,14H2,1-2H3
InChIKeyFYRVEKIHNOKIKS-UHFFFAOYSA-N
XLogP1.04
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.04
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 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline (CID 79781757) is 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline is CCOc1ccc(-c2nnnn2-c2ccn(C)n2)cc1N.
What is the InChIKey of 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
The InChIKey is FYRVEKIHNOKIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-3-21-11-5-4-9(8-10(11)14)13-15-17-18-20(13)12-6-7-19(2)16-12/h4-8H,3,14H2,1-2H3.
What are the key properties of 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline has a molecular weight of 285.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 79781757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).