3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one

C8H15N5O2 — CID 107061987

IUPAC3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O2/c1-13-11-8(10-12-13)5-7(14)6(9)3-4-15-2/h6H,3-5,9H2,1-2H3
InChIKeyVQKNZRDVOCKFMF-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.31
Rot. Bonds6

About 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one

3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107061987) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107061987
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O2/c1-13-11-8(10-12-13)5-7(14)6(9)3-4-15-2/h6H,3-5,9H2,1-2H3
InChIKeyVQKNZRDVOCKFMF-UHFFFAOYSA-N
XLogP-1.31
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047096
3-Amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107062189
3-Amino-6-methoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062297
3-Amino-4-methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107062300
1-(4-Aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062433

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107061987) is 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one is COCCC(N)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is VQKNZRDVOCKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-13-11-8(10-12-13)5-7(14)6(9)3-4-15-2/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 213.24 g/mol, XLogP of -1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107061987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).