2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one

C6H11N5O — CID 164659200

IUPAC2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnnc1C(=O)C(C)(C)N
InChIInChI=1S/C6H11N5O/c1-6(2,7)4(12)5-8-9-10-11(5)3/h7H2,1-3H3
InChIKeyVUFYMNRDYQYXLV-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.87
Rot. Bonds2

About 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one

2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one (PubChem CID 164659200) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one
PubChem CID164659200
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnnc1C(=O)C(C)(C)N
InChIInChI=1S/C6H11N5O/c1-6(2,7)4(12)5-8-9-10-11(5)3/h7H2,1-3H3
InChIKeyVUFYMNRDYQYXLV-UHFFFAOYSA-N
XLogP-0.87
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-1-(1-methyltetrazol-5-yl)propan-1-one
CID 68374745
1-[1-(Methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one
CID 126726632
(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 10397466
2-amino-1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)ethan-1-one
CID 82418123
2-Amino-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 84650135
1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-2-(methylamino)ethan-1-one
CID 84650136
2-Amino-1-(1-propan-2-yltetrazol-5-yl)propan-1-one
CID 84659054
2-Amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 85132204
5-(Azetidine-3-carbonyl)-1-methyl-1h-1,2,3,4-tetrazole
CID 164659199
1-(1-Methyl-1h-1,2,3,4-tetrazole-5-carbonyl)cyclobutan-1-amine
CID 164659203
3-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659204
3-Amino-2,2-dimethyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 164659205

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one (CID 164659200) is 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one is Cn1nnnc1C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one?
The InChIKey is VUFYMNRDYQYXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-6(2,7)4(12)5-8-9-10-11(5)3/h7H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one?
2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one has a molecular weight of 169.19 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(1-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 164659200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).