2-(2H-tetrazol-5-yl)prop-2-enamide

C4H5N5O — CID 154333734

IUPAC2-(2H-tetrazol-5-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1nn[nH]n1
InChIInChI=1S/C4H5N5O/c1-2(3(5)10)4-6-8-9-7-4/h1H2,(H2,5,10)(H,6,7,8,9)
InChIKeyRBKHWWMTUYUSHJ-UHFFFAOYSA-N
MW139.12 g/mol
LogP-1.30
Rot. Bonds2

About 2-(2H-tetrazol-5-yl)prop-2-enamide

2-(2H-tetrazol-5-yl)prop-2-enamide (PubChem CID 154333734) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)prop-2-enamide
PubChem CID154333734
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC Name2-(2H-tetrazol-5-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1nn[nH]n1
InChIInChI=1S/C4H5N5O/c1-2(3(5)10)4-6-8-9-7-4/h1H2,(H2,5,10)(H,6,7,8,9)
InChIKeyRBKHWWMTUYUSHJ-UHFFFAOYSA-N
XLogP-1.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)prop-2-enamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)prop-2-enamide (CID 154333734) is 2-(2H-tetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)prop-2-enamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)prop-2-enamide is C=C(C(N)=O)c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)prop-2-enamide?
The InChIKey is RBKHWWMTUYUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c1-2(3(5)10)4-6-8-9-7-4/h1H2,(H2,5,10)(H,6,7,8,9).
What are the key properties of 2-(2H-tetrazol-5-yl)prop-2-enamide?
2-(2H-tetrazol-5-yl)prop-2-enamide has a molecular weight of 139.12 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 154333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).