1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

C15H23N5O2 — CID 111504246

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NCC(C)(C)CCO)c1nnc2ccccn12
InChIInChI=1S/C15H23N5O2/c1-11(13-19-18-12-6-4-5-8-20(12)13)17-14(22)16-10-15(2,3)7-9-21/h4-6,8,11,21H,7,9-10H2,1-3H3,(H2,16,17,22)
InChIKeyIFASAIRFQVIUTE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds6

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (PubChem CID 111504246) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
PubChem CID111504246
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NCC(C)(C)CCO)c1nnc2ccccn12
InChIInChI=1S/C15H23N5O2/c1-11(13-19-18-12-6-4-5-8-20(12)13)17-14(22)16-10-15(2,3)7-9-21/h4-6,8,11,21H,7,9-10H2,1-3H3,(H2,16,17,22)
InChIKeyIFASAIRFQVIUTE-UHFFFAOYSA-N
XLogP1.50
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea with MolForge

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Related Compounds

1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
CID 154774195
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
CID 119836867
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 110895448
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
1-[(4-fluoro-3-methylphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954367

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (CID 111504246) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is CC(NC(=O)NCC(C)(C)CCO)c1nnc2ccccn12.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The InChIKey is IFASAIRFQVIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(13-19-18-12-6-4-5-8-20(12)13)17-14(22)16-10-15(2,3)7-9-21/h4-6,8,11,21H,7,9-10H2,1-3H3,(H2,16,17,22).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea has a molecular weight of 305.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 111504246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).