1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C15H17N5O3 — CID 111474702

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2nnc3ccccn23)o1
InChIInChI=1S/C15H17N5O3/c1-10-6-7-11(23-10)15(2,22)9-16-14(21)17-13-19-18-12-5-3-4-8-20(12)13/h3-8,22H,9H2,1-2H3,(H2,16,17,19,21)
InChIKeyKLVHKKSPORUKRF-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 111474702) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID111474702
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2nnc3ccccn23)o1
InChIInChI=1S/C15H17N5O3/c1-10-6-7-11(23-10)15(2,22)9-16-14(21)17-13-19-18-12-5-3-4-8-20(12)13/h3-8,22H,9H2,1-2H3,(H2,16,17,19,21)
InChIKeyKLVHKKSPORUKRF-UHFFFAOYSA-N
XLogP1.66
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea with MolForge

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Related Compounds

1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111481180
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
CID 111473769
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473356
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479690
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 111474702) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is Cc1ccc(C(C)(O)CNC(=O)Nc2nnc3ccccn23)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is KLVHKKSPORUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-6-7-11(23-10)15(2,22)9-16-14(21)17-13-19-18-12-5-3-4-8-20(12)13/h3-8,22H,9H2,1-2H3,(H2,16,17,19,21).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 315.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 111474702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).