4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C10H19N5O — CID 107062066

IUPAC4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCn1nnc(CC(=O)C(C)(C)C(C)(C)N)n1
InChIInChI=1S/C10H19N5O/c1-9(2,10(3,4)11)7(16)6-8-12-14-15(5)13-8/h6,11H2,1-5H3
InChIKeyMUKLPCLHWGMLAJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.09
Rot. Bonds4

About 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107062066) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107062066
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCn1nnc(CC(=O)C(C)(C)C(C)(C)N)n1
InChIInChI=1S/C10H19N5O/c1-9(2,10(3,4)11)7(16)6-8-12-14-15(5)13-8/h6,11H2,1-5H3
InChIKeyMUKLPCLHWGMLAJ-UHFFFAOYSA-N
XLogP0.09
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107062066) is 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is Cn1nnc(CC(=O)C(C)(C)C(C)(C)N)n1.
What is the InChIKey of 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is MUKLPCLHWGMLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-9(2,10(3,4)11)7(16)6-8-12-14-15(5)13-8/h6,11H2,1-5H3.
What are the key properties of 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107062066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).