[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol

C15H26N4O — CID 117149506

IUPAC[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
SMILESCC(C)N1CCC(Cc2nnc3n2C(CO)CCC3)C1
InChIInChI=1S/C15H26N4O/c1-11(2)18-7-6-12(9-18)8-15-17-16-14-5-3-4-13(10-20)19(14)15/h11-13,20H,3-10H2,1-2H3
InChIKeyLYWKJLQGHNQVII-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.42
Rot. Bonds4

About [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol

[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol (PubChem CID 117149506) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
PubChem CID117149506
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
SMILESCC(C)N1CCC(Cc2nnc3n2C(CO)CCC3)C1
InChIInChI=1S/C15H26N4O/c1-11(2)18-7-6-12(9-18)8-15-17-16-14-5-3-4-13(10-20)19(14)15/h11-13,20H,3-10H2,1-2H3
InChIKeyLYWKJLQGHNQVII-UHFFFAOYSA-N
XLogP1.42
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol with MolForge

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Related Compounds

[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
CID 117149604
[3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
CID 117149498
3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148730
[3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
CID 117149594
(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol
CID 117149677
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117149886
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
7-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151494
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
CID 117155290
3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151266
3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150179
3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149361

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
The IUPAC name of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol (CID 117149506) is [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol.
What is the SMILES notation for [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
The canonical SMILES for [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol is CC(C)N1CCC(Cc2nnc3n2C(CO)CCC3)C1.
What is the InChIKey of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
The InChIKey is LYWKJLQGHNQVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)18-7-6-12(9-18)8-15-17-16-14-5-3-4-13(10-20)19(14)15/h11-13,20H,3-10H2,1-2H3.
What are the key properties of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117149506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).