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

C15H17N5O3 — CID 97225076

IUPAC1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C15H17N5O3/c1-10(9-11(21)12-5-4-8-23-12)16-15(22)17-14-19-18-13-6-2-3-7-20(13)14/h2-8,10-11,21H,9H2,1H3,(H2,16,17,19,22)/t10-,11+/m0/s1
InChIKeyRKVHBVBPLKIXLJ-WDEREUQCSA-N
MW315.33 g/mol
LogP1.96
Rot. Bonds5

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

1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 97225076) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID97225076
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C15H17N5O3/c1-10(9-11(21)12-5-4-8-23-12)16-15(22)17-14-19-18-13-6-2-3-7-20(13)14/h2-8,10-11,21H,9H2,1H3,(H2,16,17,19,22)/t10-,11+/m0/s1
InChIKeyRKVHBVBPLKIXLJ-WDEREUQCSA-N
XLogP1.96
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95771338
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95774144
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-[(1S)-2-methylsulfanyl-1-phenylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95773517
1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 97028116
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97072611
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 97225262
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
1-[(2-methylcyclopropyl)-phenylmethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 75494169

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 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) is 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1nnc2ccccn12.
What is the InChIKey of 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is RKVHBVBPLKIXLJ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(9-11(21)12-5-4-8-23-12)16-15(22)17-14-19-18-13-6-2-3-7-20(13)14/h2-8,10-11,21H,9H2,1H3,(H2,16,17,19,22)/t10-,11+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 315.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 97225076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).