2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one

C8H15N5O — CID 84774384

IUPAC2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
SMILESCC(C)Cn1nnc(C(=O)C(C)N)n1
InChIInChI=1S/C8H15N5O/c1-5(2)4-13-11-8(10-12-13)7(14)6(3)9/h5-6H,4,9H2,1-3H3
InChIKeyHMPGGEAIADVQFY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.14
Rot. Bonds4

About 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one

2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one (PubChem CID 84774384) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
PubChem CID84774384
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
SMILESCC(C)Cn1nnc(C(=O)C(C)N)n1
InChIInChI=1S/C8H15N5O/c1-5(2)4-13-11-8(10-12-13)7(14)6(3)9/h5-6H,4,9H2,1-3H3
InChIKeyHMPGGEAIADVQFY-UHFFFAOYSA-N
XLogP-0.14
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one (CID 84774384) is 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one is CC(C)Cn1nnc(C(=O)C(C)N)n1.
What is the InChIKey of 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one?
The InChIKey is HMPGGEAIADVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2)4-13-11-8(10-12-13)7(14)6(3)9/h5-6H,4,9H2,1-3H3.
What are the key properties of 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one?
2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one has a molecular weight of 197.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one is sourced from PubChem (CID 84774384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).