1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C18H23N5O — CID 97050818

IUPAC1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESC[C@H](Cn1cncn1)NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12
InChIInChI=1S/C18H23N5O/c1-13(10-23-12-19-11-21-23)22-17(24)20-9-15-8-18(15)7-6-14-4-2-3-5-16(14)18/h2-5,11-13,15H,6-10H2,1H3,(H2,20,22,24)/t13-,15-,18+/m1/s1
InChIKeyQQZDZTBOQWHRPZ-SIIHOXLZSA-N
MW325.42 g/mol
LogP1.87
Rot. Bonds5

About 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 97050818) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID97050818
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESC[C@H](Cn1cncn1)NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12
InChIInChI=1S/C18H23N5O/c1-13(10-23-12-19-11-21-23)22-17(24)20-9-15-8-18(15)7-6-14-4-2-3-5-16(14)18/h2-5,11-13,15H,6-10H2,1H3,(H2,20,22,24)/t13-,15-,18+/m1/s1
InChIKeyQQZDZTBOQWHRPZ-SIIHOXLZSA-N
XLogP1.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea with MolForge

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Related Compounds

1-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97050816
1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea
CID 97222883
1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97010008
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97159119
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97088082
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97066420
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 111119606
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100592197

Frequently Asked Questions

What is the IUPAC name of 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 97050818) is 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is C[C@H](Cn1cncn1)NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12.
What is the InChIKey of 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is QQZDZTBOQWHRPZ-SIIHOXLZSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(10-23-12-19-11-21-23)22-17(24)20-9-15-8-18(15)7-6-14-4-2-3-5-16(14)18/h2-5,11-13,15H,6-10H2,1H3,(H2,20,22,24)/t13-,15-,18+/m1/s1.
What are the key properties of 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 325.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 97050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).