N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide

C7H13N5O — CID 110496402

IUPACN-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCC(C)NC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-5(2)8-7(13)4-6-9-11-12-10-6/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11,12)
InChIKeySABXKNYAAOCEQK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.34
Rot. Bonds4

About N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide

N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496402) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496402
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCC(C)NC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-5(2)8-7(13)4-6-9-11-12-10-6/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11,12)
InChIKeySABXKNYAAOCEQK-UHFFFAOYSA-N
XLogP-0.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide (CID 110496402) is N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide is CCC(C)NC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is SABXKNYAAOCEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-5(2)8-7(13)4-6-9-11-12-10-6/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11,12).
What are the key properties of N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).