1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C13H13N5O3 — CID 95771338

IUPAC1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESO=C(NC[C@H](O)c1ccco1)Nc1nnc2ccccn12
InChIInChI=1S/C13H13N5O3/c19-9(10-4-3-7-21-10)8-14-13(20)15-12-17-16-11-5-1-2-6-18(11)12/h1-7,9,19H,8H2,(H2,14,15,17,20)/t9-/m0/s1
InChIKeyZDWAQXDXUUOFCK-VIFPVBQESA-N
MW287.28 g/mol
LogP1.18
Rot. Bonds4

About 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 95771338) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID95771338
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESO=C(NC[C@H](O)c1ccco1)Nc1nnc2ccccn12
InChIInChI=1S/C13H13N5O3/c19-9(10-4-3-7-21-10)8-14-13(20)15-12-17-16-11-5-1-2-6-18(11)12/h1-7,9,19H,8H2,(H2,14,15,17,20)/t9-/m0/s1
InChIKeyZDWAQXDXUUOFCK-VIFPVBQESA-N
XLogP1.18
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea with MolForge

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Related Compounds

1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 97225076
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 110896235
N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
CID 51079271
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 111474702
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 95771338) is 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is O=C(NC[C@H](O)c1ccco1)Nc1nnc2ccccn12.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is ZDWAQXDXUUOFCK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13N5O3/c19-9(10-4-3-7-21-10)8-14-13(20)15-12-17-16-11-5-1-2-6-18(11)12/h1-7,9,19H,8H2,(H2,14,15,17,20)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 287.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 95771338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).