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

C4H6ClN5O — CID 82109317

IUPAC2-chloro-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(Cl)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C4H6ClN5O/c1-2(5)3(11)6-4-7-9-10-8-4/h2H,1H3,(H2,6,7,8,9,10,11)
InChIKeyAWIBXINTNZHPCE-UHFFFAOYSA-N
MW175.58 g/mol
LogP-0.23
Rot. Bonds2

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

2-chloro-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 82109317) has the molecular formula C4H6ClN5O and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-chloro-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2H-tetrazol-5-yl)propanamide
PubChem CID82109317
Molecular FormulaC4H6ClN5O
Molecular Weight175.58 g/mol
Exact Mass175.03
IUPAC Name2-chloro-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(Cl)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C4H6ClN5O/c1-2(5)3(11)6-4-7-9-10-8-4/h2H,1H3,(H2,6,7,8,9,10,11)
InChIKeyAWIBXINTNZHPCE-UHFFFAOYSA-N
XLogP-0.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 2-chloro-N-(2H-tetrazol-5-yl)propanamide (CID 82109317) is 2-chloro-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 2-chloro-N-(2H-tetrazol-5-yl)propanamide is CC(Cl)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-chloro-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is AWIBXINTNZHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5O/c1-2(5)3(11)6-4-7-9-10-8-4/h2H,1H3,(H2,6,7,8,9,10,11).
What are the key properties of 2-chloro-N-(2H-tetrazol-5-yl)propanamide?
2-chloro-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 175.58 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 82109317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).