3-chloro-N-(2H-tetrazol-5-yl)propanamide

C4H6ClN5O — CID 3253359

IUPAC3-chloro-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCCl)Nc1nn[nH]n1
InChIInChI=1S/C4H6ClN5O/c5-2-1-3(11)6-4-7-9-10-8-4/h1-2H2,(H2,6,7,8,9,10,11)
InChIKeyZBORQFMARBBGOX-UHFFFAOYSA-N
MW175.58 g/mol
LogP-0.23
Rot. Bonds3

About 3-chloro-N-(2H-tetrazol-5-yl)propanamide

3-chloro-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 3253359) has the molecular formula C4H6ClN5O and a molecular weight of 175.58 g/mol. Its IUPAC name is 3-chloro-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2H-tetrazol-5-yl)propanamide
PubChem CID3253359
Molecular FormulaC4H6ClN5O
Molecular Weight175.58 g/mol
Exact Mass175.03
IUPAC Name3-chloro-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCCl)Nc1nn[nH]n1
InChIInChI=1S/C4H6ClN5O/c5-2-1-3(11)6-4-7-9-10-8-4/h1-2H2,(H2,6,7,8,9,10,11)
InChIKeyZBORQFMARBBGOX-UHFFFAOYSA-N
XLogP-0.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2H-tetrazol-5-yl)propanamide;hydrochloride
CID 130725338
N-[4,6-bis(3-chloropropanoylamino)-1,3,5-triazin-2-yl]-3-chloropropanamide
CID 54343372
3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
CID 1225874
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448
3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 56824715
2-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 82109317
2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
CID 130734610
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
CID 84553199
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide
CID 110205418
2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
CID 140956956
2-bromo-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 82108807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(2H-tetrazol-5-yl)propanamide (CID 3253359) is 3-chloro-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2H-tetrazol-5-yl)propanamide is O=C(CCCl)Nc1nn[nH]n1.
What is the InChIKey of 3-chloro-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is ZBORQFMARBBGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5O/c5-2-1-3(11)6-4-7-9-10-8-4/h1-2H2,(H2,6,7,8,9,10,11).
What are the key properties of 3-chloro-N-(2H-tetrazol-5-yl)propanamide?
3-chloro-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 175.58 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3253359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).