3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one

C7H13N5O — CID 164659205

IUPAC3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnnc1C(=O)C(C)(C)CN
InChIInChI=1S/C7H13N5O/c1-7(2,4-8)5(13)6-9-10-11-12(6)3/h4,8H2,1-3H3
InChIKeyNBYMQCQBMKMICX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.62
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one

3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one (PubChem CID 164659205) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one
PubChem CID164659205
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnnc1C(=O)C(C)(C)CN
InChIInChI=1S/C7H13N5O/c1-7(2,4-8)5(13)6-9-10-11-12(6)3/h4,8H2,1-3H3
InChIKeyNBYMQCQBMKMICX-UHFFFAOYSA-N
XLogP-0.62
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2,2-Dimethylpropanoyl)tetrazol-1-yl]-3,3-dimethylbutan-2-one
CID 283909
2-Methyl-1-(1-methyltetrazol-5-yl)propan-1-one
CID 68374745
1-(1-Ethyltetrazol-5-yl)-2-methylpropan-1-one
CID 137470686
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
5-(Azetidine-3-carbonyl)-1-methyl-1h-1,2,3,4-tetrazole
CID 164659199
2-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 164659200
[1-(1-Methyl-1h-1,2,3,4-tetrazole-5-carbonyl)cyclopropyl]methanamine
CID 164659201
3-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659204
2-Methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)-2-(methylamino)propan-1-one
CID 164659206
3-Amino-3-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659207

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one (CID 164659205) is 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one is Cn1nnnc1C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one?
The InChIKey is NBYMQCQBMKMICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-7(2,4-8)5(13)6-9-10-11-12(6)3/h4,8H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one?
3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 164659205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).