3-(tetrazol-1-yl)propanamide

C4H7N5O — CID 5324832

IUPAC3-(tetrazol-1-yl)propanamide
SMILESNC(=O)CCn1cnnn1
InChIInChI=1S/C4H7N5O/c5-4(10)1-2-9-3-6-7-8-9/h3H,1-2H2,(H2,5,10)
InChIKeyBZZYHWFCFYBQGP-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.45
Rot. Bonds3

About 3-(tetrazol-1-yl)propanamide

3-(tetrazol-1-yl)propanamide (PubChem CID 5324832) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)propanamide
PubChem CID5324832
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name3-(tetrazol-1-yl)propanamide
SMILESNC(=O)CCn1cnnn1
InChIInChI=1S/C4H7N5O/c5-4(10)1-2-9-3-6-7-8-9/h3H,1-2H2,(H2,5,10)
InChIKeyBZZYHWFCFYBQGP-UHFFFAOYSA-N
XLogP-1.45
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)propanamide?
The IUPAC name of 3-(tetrazol-1-yl)propanamide (CID 5324832) is 3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for 3-(tetrazol-1-yl)propanamide?
The canonical SMILES for 3-(tetrazol-1-yl)propanamide is NC(=O)CCn1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)propanamide?
The InChIKey is BZZYHWFCFYBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-4(10)1-2-9-3-6-7-8-9/h3H,1-2H2,(H2,5,10).
What are the key properties of 3-(tetrazol-1-yl)propanamide?
3-(tetrazol-1-yl)propanamide has a molecular weight of 141.13 g/mol, XLogP of -1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5324832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).