4-(1-ethyltetrazol-5-yl)-2-methoxyaniline

C10H13N5O — CID 104784473

IUPAC4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
SMILESCCn1nnnc1-c1ccc(N)c(OC)c1
InChIInChI=1S/C10H13N5O/c1-3-15-10(12-13-14-15)7-4-5-8(11)9(6-7)16-2/h4-6H,3,11H2,1-2H3
InChIKeyIVPCKKBWGXARQE-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.95
Rot. Bonds3

About 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline

4-(1-ethyltetrazol-5-yl)-2-methoxyaniline (PubChem CID 104784473) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
PubChem CID104784473
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
SMILESCCn1nnnc1-c1ccc(N)c(OC)c1
InChIInChI=1S/C10H13N5O/c1-3-15-10(12-13-14-15)7-4-5-8(11)9(6-7)16-2/h4-6H,3,11H2,1-2H3
InChIKeyIVPCKKBWGXARQE-UHFFFAOYSA-N
XLogP0.95
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784464
5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
CID 22106604
2-methoxy-4-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
CID 104784567
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
2-methoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227108
4-[1-(3-bromophenyl)tetrazol-5-yl]-2-methoxyaniline
CID 104784436
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
CID 83558388
1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
CID 23938829
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
CID 25049417
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline?
The IUPAC name of 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline (CID 104784473) is 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline?
The canonical SMILES for 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline is CCn1nnnc1-c1ccc(N)c(OC)c1.
What is the InChIKey of 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline?
The InChIKey is IVPCKKBWGXARQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-15-10(12-13-14-15)7-4-5-8(11)9(6-7)16-2/h4-6H,3,11H2,1-2H3.
What are the key properties of 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline?
4-(1-ethyltetrazol-5-yl)-2-methoxyaniline has a molecular weight of 219.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyltetrazol-5-yl)-2-methoxyaniline is sourced from PubChem (CID 104784473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).