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

C6H11N5O — CID 110719972

IUPACN-[2-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-2-6(12)7-4-3-5-8-10-11-9-5/h2-4H2,1H3,(H,7,12)(H,8,9,10,11)
InChIKeyOWPKTCDOVJZSEQ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.73
Rot. Bonds4

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

N-[2-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 110719972) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID110719972
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN-[2-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-2-6(12)7-4-3-5-8-10-11-9-5/h2-4H2,1H3,(H,7,12)(H,8,9,10,11)
InChIKeyOWPKTCDOVJZSEQ-UHFFFAOYSA-N
XLogP-0.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2H-tetrazol-5-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
N-hexyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496415
1-piperazin-1-yl-2-(2H-tetrazol-5-yl)ethanone;hydrochloride
CID 178300904
N-octyl-2-(2H-tetrazol-5-yl)acetamide
CID 178302110
N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
CID 18618243
N-butyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496410
N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496418
N-dodecyl-2-(2H-tetrazol-5-yl)acetamide
CID 134846699
3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 61852334
2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 130562017
2,2-difluoro-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 166179016
N-(2H-tetrazol-5-ylmethyl)acetamide
CID 5198497

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]propanamide (CID 110719972) is N-[2-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)ethyl]propanamide is CCC(=O)NCCc1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is OWPKTCDOVJZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-6(12)7-4-3-5-8-10-11-9-5/h2-4H2,1H3,(H,7,12)(H,8,9,10,11).
What are the key properties of N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
N-[2-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 169.19 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110719972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).