N-(2-prop-2-enyltetrazol-5-yl)hexanamide

C10H17N5O — CID 17177295

IUPACN-(2-prop-2-enyltetrazol-5-yl)hexanamide
SMILESC=CCn1nnc(NC(=O)CCCCC)n1
InChIInChI=1S/C10H17N5O/c1-3-5-6-7-9(16)11-10-12-14-15(13-10)8-4-2/h4H,2-3,5-8H2,1H3,(H,11,13,16)
InChIKeyALJMWYJTSIUEJK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.38
Rot. Bonds7

About N-(2-prop-2-enyltetrazol-5-yl)hexanamide

N-(2-prop-2-enyltetrazol-5-yl)hexanamide (PubChem CID 17177295) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-prop-2-enyltetrazol-5-yl)hexanamide.

Molecular Properties

Compound NameN-(2-prop-2-enyltetrazol-5-yl)hexanamide
PubChem CID17177295
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-(2-prop-2-enyltetrazol-5-yl)hexanamide
SMILESC=CCn1nnc(NC(=O)CCCCC)n1
InChIInChI=1S/C10H17N5O/c1-3-5-6-7-9(16)11-10-12-14-15(13-10)8-4-2/h4H,2-3,5-8H2,1H3,(H,11,13,16)
InChIKeyALJMWYJTSIUEJK-UHFFFAOYSA-N
XLogP1.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177274
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
2,2,2-trichloro-N-(2-propyltetrazol-5-yl)acetamide
CID 3330529
N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
CID 113038177
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-prop-2-enyloctanamide
CID 4071942

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enyltetrazol-5-yl)hexanamide?
The IUPAC name of N-(2-prop-2-enyltetrazol-5-yl)hexanamide (CID 17177295) is N-(2-prop-2-enyltetrazol-5-yl)hexanamide.
What is the SMILES notation for N-(2-prop-2-enyltetrazol-5-yl)hexanamide?
The canonical SMILES for N-(2-prop-2-enyltetrazol-5-yl)hexanamide is C=CCn1nnc(NC(=O)CCCCC)n1.
What is the InChIKey of N-(2-prop-2-enyltetrazol-5-yl)hexanamide?
The InChIKey is ALJMWYJTSIUEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-5-6-7-9(16)11-10-12-14-15(13-10)8-4-2/h4H,2-3,5-8H2,1H3,(H,11,13,16).
What are the key properties of N-(2-prop-2-enyltetrazol-5-yl)hexanamide?
N-(2-prop-2-enyltetrazol-5-yl)hexanamide has a molecular weight of 223.28 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enyltetrazol-5-yl)hexanamide is sourced from PubChem (CID 17177295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).