3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one

C13H23N9O — CID 122448187

IUPAC3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one
SMILESN/N=N/CCn1ccnc1CCC(=O)N1CCC(/N=N/N)CC1
InChIInChI=1S/C13H23N9O/c14-19-17-6-10-21-9-5-16-12(21)1-2-13(23)22-7-3-11(4-8-22)18-20-15/h5,9,11H,1-4,6-8,10H2,(H2,14,17)(H2,15,18)
InChIKeyYOLZWMUNBQYHOM-UHFFFAOYSA-N
MW321.39 g/mol
LogP0.46
Rot. Bonds7

About 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one

3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one (PubChem CID 122448187) has the molecular formula C13H23N9O and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one
PubChem CID122448187
Molecular FormulaC13H23N9O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one
SMILESN/N=N/CCn1ccnc1CCC(=O)N1CCC(/N=N/N)CC1
InChIInChI=1S/C13H23N9O/c14-19-17-6-10-21-9-5-16-12(21)1-2-13(23)22-7-3-11(4-8-22)18-20-15/h5,9,11H,1-4,6-8,10H2,(H2,14,17)(H2,15,18)
InChIKeyYOLZWMUNBQYHOM-UHFFFAOYSA-N
XLogP0.46
TPSA139.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
CID 122448182
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
CID 172727257
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane
CID 159389215
2-[2-[3-[4-(diethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452447
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
3-[1-(2-chloroethyl)imidazol-2-yl]-1-[3-(methylamino)azetidin-1-yl]propan-1-one
CID 122582739
[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452432
1-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]-3-methylpentan-2-one
CID 155065962
butyl 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452464

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one (CID 122448187) is 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one is N/N=N/CCn1ccnc1CCC(=O)N1CCC(/N=N/N)CC1.
What is the InChIKey of 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one?
The InChIKey is YOLZWMUNBQYHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N9O/c14-19-17-6-10-21-9-5-16-12(21)1-2-13(23)22-7-3-11(4-8-22)18-20-15/h5,9,11H,1-4,6-8,10H2,(H2,14,17)(H2,15,18).
What are the key properties of 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one?
3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one has a molecular weight of 321.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 122448187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).