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

C19H25N5O — CID 97222883

IUPAC1-[[(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
SMILESC[C@H](CCn1cncn1)NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12
InChIInChI=1S/C19H25N5O/c1-14(7-9-24-13-20-12-22-24)23-18(25)21-11-16-10-19(16)8-6-15-4-2-3-5-17(15)19/h2-5,12-14,16H,6-11H2,1H3,(H2,21,23,25)/t14-,16-,19+/m1/s1
InChIKeyUFEGZVCLXATGKU-OGWOLHLISA-N
MW339.44 g/mol
LogP2.26
Rot. Bonds6

About 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

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 (PubChem CID 97222883) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[(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
PubChem CID97222883
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[[(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
SMILESC[C@H](CCn1cncn1)NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12
InChIInChI=1S/C19H25N5O/c1-14(7-9-24-13-20-12-22-24)23-18(25)21-11-16-10-19(16)8-6-15-4-2-3-5-17(15)19/h2-5,12-14,16H,6-11H2,1H3,(H2,21,23,25)/t14-,16-,19+/m1/s1
InChIKeyUFEGZVCLXATGKU-OGWOLHLISA-N
XLogP2.26
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.26
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)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea with MolForge

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Related Compounds

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
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-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97159119
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
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-[(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-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100592197
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97227402
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
7-methyl-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97073175

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)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](CCn1cncn1)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)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea?
The InChIKey is UFEGZVCLXATGKU-OGWOLHLISA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(7-9-24-13-20-12-22-24)23-18(25)21-11-16-10-19(16)8-6-15-4-2-3-5-17(15)19/h2-5,12-14,16H,6-11H2,1H3,(H2,21,23,25)/t14-,16-,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 339.44 g/mol, XLogP of 2.26, 6 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)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea is sourced from PubChem (CID 97222883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).