2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone

C10H11N5O — CID 84785195

IUPAC2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
SMILESCn1nnnc1-c1ccc(C(=O)CN)cc1
InChIInChI=1S/C10H11N5O/c1-15-10(12-13-14-15)8-4-2-7(3-5-8)9(16)6-11/h2-5H,6,11H2,1H3
InChIKeyRWVFFTPGVUNGGF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.02
Rot. Bonds3

About 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone

2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone (PubChem CID 84785195) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
PubChem CID84785195
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
SMILESCn1nnnc1-c1ccc(C(=O)CN)cc1
InChIInChI=1S/C10H11N5O/c1-15-10(12-13-14-15)8-4-2-7(3-5-8)9(16)6-11/h2-5H,6,11H2,1H3
InChIKeyRWVFFTPGVUNGGF-UHFFFAOYSA-N
XLogP0.02
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone (CID 84785195) is 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone is Cn1nnnc1-c1ccc(C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone?
The InChIKey is RWVFFTPGVUNGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-10(12-13-14-15)8-4-2-7(3-5-8)9(16)6-11/h2-5H,6,11H2,1H3.
What are the key properties of 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone?
2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone has a molecular weight of 217.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 84785195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).