3-amino-1-(2-methyltetrazol-5-yl)butan-2-one

C6H11N5O — CID 107061777

IUPAC3-amino-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCC(N)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H11N5O/c1-4(7)5(12)3-6-8-10-11(2)9-6/h4H,3,7H2,1-2H3
InChIKeyZLHALENFBNMKPT-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.33
Rot. Bonds3

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

3-amino-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107061777) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107061777
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name3-amino-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCC(N)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H11N5O/c1-4(7)5(12)3-6-8-10-11(2)9-6/h4H,3,7H2,1-2H3
InChIKeyZLHALENFBNMKPT-UHFFFAOYSA-N
XLogP-1.33
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)butan-2-one
CID 107046878
(2S)-2-amino-3-methyl-1-(2-methyltetrazol-5-yl)butan-1-one
CID 10352341
2-amino-1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 84650137
1-(2-Propan-2-yltetrazol-5-yl)propan-2-one
CID 84653053
2-Amino-1-(2-propan-2-yltetrazol-5-yl)ethanone
CID 84653396
2-Amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one
CID 84659056
3-Amino-1-(2-ethyltetrazol-5-yl)propan-1-one
CID 84765548
2-Amino-1-(2-ethyltetrazol-5-yl)propan-1-one
CID 84765549
3-Amino-1-(2-propyltetrazol-5-yl)propan-1-one
CID 84769019
2-Amino-1-(2-propyltetrazol-5-yl)propan-1-one
CID 84769020
3-Amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
CID 84774383
2-Amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
CID 84774384

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107061777) is 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one is CC(N)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is ZLHALENFBNMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(7)5(12)3-6-8-10-11(2)9-6/h4H,3,7H2,1-2H3.
What are the key properties of 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
3-amino-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 169.19 g/mol, XLogP of -1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107061777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).