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

C6H11N5O — CID 107061764

IUPAC4-amino-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCN)n1
InChIInChI=1S/C6H11N5O/c1-11-9-6(8-10-11)4-5(12)2-3-7/h2-4,7H2,1H3
InChIKeyKGWABWVMIJWPDF-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.33
Rot. Bonds4

About 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one

4-amino-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107061764) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107061764
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name4-amino-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCN)n1
InChIInChI=1S/C6H11N5O/c1-11-9-6(8-10-11)4-5(12)2-3-7/h2-4,7H2,1H3
InChIKeyKGWABWVMIJWPDF-UHFFFAOYSA-N
XLogP-1.33
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107061764) is 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one is Cn1nnc(CC(=O)CCN)n1.
What is the InChIKey of 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is KGWABWVMIJWPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11-9-6(8-10-11)4-5(12)2-3-7/h2-4,7H2,1H3.
What are the key properties of 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one?
4-amino-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 169.19 g/mol, XLogP of -1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107061764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).