3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol

C14H26IN3O — CID 122187945

IUPAC3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(CCCCCCCCCI)nn1
InChIInChI=1S/C14H26IN3O/c15-10-6-4-2-1-3-5-7-11-18-13-14(16-17-18)9-8-12-19/h13,19H,1-12H2
InChIKeySBRBLNDVUWIISU-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.37
Rot. Bonds12

About 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol

3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol (PubChem CID 122187945) has the molecular formula C14H26IN3O and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
PubChem CID122187945
Molecular FormulaC14H26IN3O
Molecular Weight379.29 g/mol
Exact Mass379.11
IUPAC Name3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(CCCCCCCCCI)nn1
InChIInChI=1S/C14H26IN3O/c15-10-6-4-2-1-3-5-7-11-18-13-14(16-17-18)9-8-12-19/h13,19H,1-12H2
InChIKeySBRBLNDVUWIISU-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
CID 103412240
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
1-(9,9-dimethyldecyl)-4-(6,6-dimethylheptyl)triazole
CID 155620964
(1S,2R,3R,4S,6R)-4,6-diamino-3-[3-[1-[5-[4-(3-hydroxypropyl)triazol-1-yl]pentyl]triazol-4-yl]propoxy]cyclohexane-1,2-diol
CID 11554518
4-(4-iodobutyl)-1-(2-methylpropyl)triazole
CID 126677580
4-butyl-1-[4-(2-iodoethoxy)butyl]triazole
CID 177149820
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[2-(1-octyltriazol-4-yl)ethyl]propane-1,3-diol
CID 175884654

Frequently Asked Questions

What is the IUPAC name of 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol (CID 122187945) is 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol is OCCCc1cn(CCCCCCCCCI)nn1.
What is the InChIKey of 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol?
The InChIKey is SBRBLNDVUWIISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26IN3O/c15-10-6-4-2-1-3-5-7-11-18-13-14(16-17-18)9-8-12-19/h13,19H,1-12H2.
What are the key properties of 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol?
3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol has a molecular weight of 379.29 g/mol, XLogP of 3.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 122187945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).