1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C18H23N5O2 — CID 97088082

IUPAC1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESC[C@H](Cn1cncn1)NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-13(10-23-12-19-11-20-23)21-17(24)22-15-9-18(7-4-8-18)25-16-6-3-2-5-14(15)16/h2-3,5-6,11-13,15H,4,7-10H2,1H3,(H2,21,22,24)/t13-,15+/m1/s1
InChIKeyLKXMJDFLWPXSER-HIFRSBDPSA-N
MW341.42 g/mol
LogP2.41
Rot. Bonds4

About 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 97088082) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID97088082
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESC[C@H](Cn1cncn1)NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-13(10-23-12-19-11-20-23)21-17(24)22-15-9-18(7-4-8-18)25-16-6-3-2-5-14(15)16/h2-3,5-6,11-13,15H,4,7-10H2,1H3,(H2,21,22,24)/t13-,15+/m1/s1
InChIKeyLKXMJDFLWPXSER-HIFRSBDPSA-N
XLogP2.41
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223973
1-(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 75446547
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223623
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 124868965
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 124868966
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
N-[(2S,4S)-1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 51595179
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-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71920773
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 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) is 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is C[C@H](Cn1cncn1)NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is LKXMJDFLWPXSER-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(10-23-12-19-11-20-23)21-17(24)22-15-9-18(7-4-8-18)25-16-6-3-2-5-14(15)16/h2-3,5-6,11-13,15H,4,7-10H2,1H3,(H2,21,22,24)/t13-,15+/m1/s1.
What are the key properties of 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 97088082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).