N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide

C7H11N5O — CID 62679492

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H11N5O/c1-3-4-6(13)8-5(2)7-9-11-12-10-7/h3,5H,1,4H2,2H3,(H,8,13)(H,9,10,11,12)
InChIKeyWULNIZBGPKLDEZ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.05
Rot. Bonds4

About N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide

N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide (PubChem CID 62679492) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
PubChem CID62679492
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H11N5O/c1-3-4-6(13)8-5(2)7-9-11-12-10-7/h3,5H,1,4H2,2H3,(H,8,13)(H,9,10,11,12)
InChIKeyWULNIZBGPKLDEZ-UHFFFAOYSA-N
XLogP-0.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.05
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

5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
5-amino-N-[1-(2H-tetrazol-5-yl)ethyl]hexanamide
CID 82851846
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
2-(azetidin-3-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 64612043
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209251
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
CID 116507980
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
CID 62700432

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide (CID 62679492) is N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide is C=CCC(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide?
The InChIKey is WULNIZBGPKLDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-3-4-6(13)8-5(2)7-9-11-12-10-7/h3,5H,1,4H2,2H3,(H,8,13)(H,9,10,11,12).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide?
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide has a molecular weight of 181.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide is sourced from PubChem (CID 62679492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).