17-(triazol-1-yl)heptadecanoic acid

C19H35N3O2 — CID 69480410

IUPAC17-(triazol-1-yl)heptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCn1ccnn1
InChIInChI=1S/C19H35N3O2/c23-19(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-18-16-20-21-22/h16,18H,1-15,17H2,(H,23,24)
InChIKeyQFTMKVILTXMZRM-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.21
Rot. Bonds17

About 17-(triazol-1-yl)heptadecanoic acid

17-(triazol-1-yl)heptadecanoic acid (PubChem CID 69480410) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 17-(triazol-1-yl)heptadecanoic acid.

Molecular Properties

Compound Name17-(triazol-1-yl)heptadecanoic acid
PubChem CID69480410
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name17-(triazol-1-yl)heptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCn1ccnn1
InChIInChI=1S/C19H35N3O2/c23-19(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-18-16-20-21-22/h16,18H,1-15,17H2,(H,23,24)
InChIKeyQFTMKVILTXMZRM-UHFFFAOYSA-N
XLogP5.21
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propanoic acid;4-(triazol-1-yl)butanoic acid
CID 175246516
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
1-(5-chloropentyl)triazole
CID 66780657
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
2-[carboxymethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 63651478
4-(triazol-1-yl)butan-1-amine
CID 75355685
4-[methyl-[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81456321
2-[2-(triazol-1-yl)ethoxy]acetic acid
CID 86079221
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
6-(3-iodopyrazol-1-yl)hexanoic acid
CID 79787121
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 17-(triazol-1-yl)heptadecanoic acid?
The IUPAC name of 17-(triazol-1-yl)heptadecanoic acid (CID 69480410) is 17-(triazol-1-yl)heptadecanoic acid.
What is the SMILES notation for 17-(triazol-1-yl)heptadecanoic acid?
The canonical SMILES for 17-(triazol-1-yl)heptadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCn1ccnn1.
What is the InChIKey of 17-(triazol-1-yl)heptadecanoic acid?
The InChIKey is QFTMKVILTXMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c23-19(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-18-16-20-21-22/h16,18H,1-15,17H2,(H,23,24).
What are the key properties of 17-(triazol-1-yl)heptadecanoic acid?
17-(triazol-1-yl)heptadecanoic acid has a molecular weight of 337.51 g/mol, XLogP of 5.21, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(triazol-1-yl)heptadecanoic acid is sourced from PubChem (CID 69480410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).