N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide

C6H9N5O — CID 110496418

IUPACN-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide
SMILESC=CCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C6H9N5O/c1-2-3-7-6(12)4-5-8-10-11-9-5/h2H,1,3-4H2,(H,7,12)(H,8,9,10,11)
InChIKeyTZJCEUGHODGMJH-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.96
Rot. Bonds4

About N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide

N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496418) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496418
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC NameN-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide
SMILESC=CCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C6H9N5O/c1-2-3-7-6(12)4-5-8-10-11-9-5/h2H,1,3-4H2,(H,7,12)(H,8,9,10,11)
InChIKeyTZJCEUGHODGMJH-UHFFFAOYSA-N
XLogP-0.96
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496410
N-ethyl-2-(2H-tetrazol-5-yl)acetamide
CID 68348067
N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
CID 89191568
N-butan-2-yl-2-(2H-tetrazol-5-yl)acetamide
CID 110496402
N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
CID 110496412
N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 110719972
CID 156641933
CID 156641933
CID 156642000
CID 156642000
3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 163449006
N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 175280235
3-amino-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 61855212
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide (CID 110496418) is N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide is C=CCNC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is TZJCEUGHODGMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-2-3-7-6(12)4-5-8-10-11-9-5/h2H,1,3-4H2,(H,7,12)(H,8,9,10,11).
What are the key properties of N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide?
N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 167.17 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).