(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C₁₈H₂₀N₄O₂ — CID 154736325

About (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 154736325) has the molecular formula C₁₈H₂₀N₄O₂ and a molecular weight of 324.38 g/mol. Its IUPAC name is (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

• Compound Name: (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
• PubChem CID: 154736325
• Molecular Formula: C₁₈H₂₀N₄O₂
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.16
• IUPAC Name: (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
• SMILES: O=C(NCc1nncn1C1CC1)[C@@H]1C[C@]12CCOc1ccccc12
• InChI: InChI=1S/C18H20N4O2/c23-17(19-10-16-21-20-11-22(16)12-5-6-12)14-9-18(14)7-8-24-15-4-2-1-3-13(15)18/h1-4,11-12,14H,5-10H2,(H,19,23)/t14-,18-/m0/s1
• InChIKey: LDXLGXKFZBYLSM-KSSFIOAISA-N
• XLogP: 1.97
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?

The IUPAC name of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 154736325) is (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

What is the SMILES notation for (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?

The canonical SMILES for (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is O=C(NCc1nncn1C1CC1)[C@@H]1C[C@]12CCOc1ccccc12.

What is the InChIKey of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?

The InChIKey is LDXLGXKFZBYLSM-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(19-10-16-21-20-11-22(16)12-5-6-12)14-9-18(14)7-8-24-15-4-2-1-3-13(15)18/h1-4,11-12,14H,5-10H2,(H,19,23)/t14-,18-/m0/s1.

What are the key properties of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?

(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 154736325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154736325 — identifiers, structure, computed properties (public domain)

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