1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea

C18H17N5O2 — CID 99708845

IUPAC1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H17N5O2/c24-16-11-12-3-1-2-4-15(12)17(16)21-18(25)20-13-5-7-14(8-6-13)23-10-9-19-22-23/h1-10,16-17,24H,11H2,(H2,20,21,25)/t16-,17-/m1/s1
InChIKeyYWWBMNBQUACWAW-IAGOWNOFSA-N
MW335.37 g/mol
LogP2.05
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea

1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea (PubChem CID 99708845) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea
PubChem CID99708845
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H17N5O2/c24-16-11-12-3-1-2-4-15(12)17(16)21-18(25)20-13-5-7-14(8-6-13)23-10-9-19-22-23/h1-10,16-17,24H,11H2,(H2,20,21,25)/t16-,17-/m1/s1
InChIKeyYWWBMNBQUACWAW-IAGOWNOFSA-N
XLogP2.05
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 75389119
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527654
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 52860461
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 75920789
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 136580444

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea (CID 99708845) is 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea is O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea?
The InChIKey is YWWBMNBQUACWAW-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-16-11-12-3-1-2-4-15(12)17(16)21-18(25)20-13-5-7-14(8-6-13)23-10-9-19-22-23/h1-10,16-17,24H,11H2,(H2,20,21,25)/t16-,17-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea?
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea has a molecular weight of 335.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea is sourced from PubChem (CID 99708845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).