N-[1-(2H-tetrazol-5-yl)ethyl]butanamide

C7H13N5O — CID 60930172

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-4-6(13)8-5(2)7-9-11-12-10-7/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11,12)
InChIKeyNWLHDGPXAHNHDE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.18
Rot. Bonds4

About N-[1-(2H-tetrazol-5-yl)ethyl]butanamide

N-[1-(2H-tetrazol-5-yl)ethyl]butanamide (PubChem CID 60930172) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]butanamide
PubChem CID60930172
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-4-6(13)8-5(2)7-9-11-12-10-7/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11,12)
InChIKeyNWLHDGPXAHNHDE-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]butanamide (CID 60930172) is N-[1-(2H-tetrazol-5-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]butanamide is CCCC(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
The InChIKey is NWLHDGPXAHNHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-4-6(13)8-5(2)7-9-11-12-10-7/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11,12).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
N-[1-(2H-tetrazol-5-yl)ethyl]butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 60930172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).