N-[3-(2H-tetrazol-5-yl)propyl]propanamide

C7H13N5O — CID 89047941

IUPACN-[3-(2H-tetrazol-5-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-2-7(13)8-5-3-4-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12)
InChIKeyRLKUIYRWENJDQI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.34
Rot. Bonds5

About N-[3-(2H-tetrazol-5-yl)propyl]propanamide

N-[3-(2H-tetrazol-5-yl)propyl]propanamide (PubChem CID 89047941) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)propyl]propanamide
PubChem CID89047941
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN-[3-(2H-tetrazol-5-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-2-7(13)8-5-3-4-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12)
InChIKeyRLKUIYRWENJDQI-UHFFFAOYSA-N
XLogP-0.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)propyl]propanamide (CID 89047941) is N-[3-(2H-tetrazol-5-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)propyl]propanamide is CCC(=O)NCCCc1nn[nH]n1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
The InChIKey is RLKUIYRWENJDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-7(13)8-5-3-4-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12).
What are the key properties of N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
N-[3-(2H-tetrazol-5-yl)propyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)propyl]propanamide is sourced from PubChem (CID 89047941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).