2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one

C7H13N5O — CID 84659056

IUPAC2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1nnn(C(C)C)n1
InChIInChI=1S/C7H13N5O/c1-4(2)12-10-7(9-11-12)6(13)5(3)8/h4-5H,8H2,1-3H3
InChIKeyQVHKACXOTIUKRU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.22
Rot. Bonds3

About 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one

2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one (PubChem CID 84659056) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one
PubChem CID84659056
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1nnn(C(C)C)n1
InChIInChI=1S/C7H13N5O/c1-4(2)12-10-7(9-11-12)6(13)5(3)8/h4-5H,8H2,1-3H3
InChIKeyQVHKACXOTIUKRU-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
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-propan-2-yltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one (CID 84659056) is 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one is CC(N)C(=O)c1nnn(C(C)C)n1.
What is the InChIKey of 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one?
The InChIKey is QVHKACXOTIUKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4(2)12-10-7(9-11-12)6(13)5(3)8/h4-5H,8H2,1-3H3.
What are the key properties of 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one?
2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 84659056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).