3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol

C15H19N7O2 — CID 102382541

IUPAC3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2cccc(-c3cn(CCCO)nn3)n2)nn1
InChIInChI=1S/C15H19N7O2/c23-8-2-6-21-10-14(17-19-21)12-4-1-5-13(16-12)15-11-22(20-18-15)7-3-9-24/h1,4-5,10-11,23-24H,2-3,6-9H2
InChIKeyNDMFOZCPKFWDAK-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.36
Rot. Bonds8

About 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol

3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol (PubChem CID 102382541) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol
PubChem CID102382541
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2cccc(-c3cn(CCCO)nn3)n2)nn1
InChIInChI=1S/C15H19N7O2/c23-8-2-6-21-10-14(17-19-21)12-4-1-5-13(16-12)15-11-22(20-18-15)7-3-9-24/h1,4-5,10-11,23-24H,2-3,6-9H2
InChIKeyNDMFOZCPKFWDAK-UHFFFAOYSA-N
XLogP0.36
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2,6-Di(2H-1,2,3-triazol-4-yl)pyridine
CID 90693344
2-(3-Phenyltriazol-4-yl)pyridine
CID 13949169
[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 31044638
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxolane-3,4-diol
CID 44425905
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine
CID 56969518
(3R,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine
CID 56969941
5-(Pyridin-2-ylmethyl)-3-(pyrrol-1-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97519594
2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine
CID 25138594
2,6-bis[(1H-pyrazol-1-yl)methyl]pyridine
CID 12975814
2-(Triazol-1-ylmethyl)pyridine
CID 20133542
Pyridyltriazolylmethane
CID 53973787
2-(1-Methyl-1h-1,2,3-triazol-4-yl)pyridine
CID 57746172

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol (CID 102382541) is 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol is OCCCn1cc(-c2cccc(-c3cn(CCCO)nn3)n2)nn1.
What is the InChIKey of 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol?
The InChIKey is NDMFOZCPKFWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c23-8-2-6-21-10-14(17-19-21)12-4-1-5-13(16-12)15-11-22(20-18-15)7-3-9-24/h1,4-5,10-11,23-24H,2-3,6-9H2.
What are the key properties of 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol?
3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol has a molecular weight of 329.36 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[1-(3-hydroxypropyl)triazol-4-yl]-2-pyridinyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 102382541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).