1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea

C18H25N5O2 — CID 94179278

IUPAC1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCCCn2cncn2)C2CC2)o1
InChIInChI=1S/C18H25N5O2/c1-13-9-16(13)17-6-5-15(25-17)10-23(14-3-4-14)18(24)20-7-2-8-22-12-19-11-21-22/h5-6,11-14,16H,2-4,7-10H2,1H3,(H,20,24)/t13-,16-/m0/s1
InChIKeyNKGYFUXZBAZWPF-BBRMVZONSA-N
MW343.43 g/mol
LogP2.76
Rot. Bonds8

About 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea

1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea (PubChem CID 94179278) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
PubChem CID94179278
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCCCn2cncn2)C2CC2)o1
InChIInChI=1S/C18H25N5O2/c1-13-9-16(13)17-6-5-15(25-17)10-23(14-3-4-14)18(24)20-7-2-8-22-12-19-11-21-22/h5-6,11-14,16H,2-4,7-10H2,1H3,(H,20,24)/t13-,16-/m0/s1
InChIKeyNKGYFUXZBAZWPF-BBRMVZONSA-N
XLogP2.76
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
The IUPAC name of 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea (CID 94179278) is 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea is C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCCCn2cncn2)C2CC2)o1.
What is the InChIKey of 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
The InChIKey is NKGYFUXZBAZWPF-BBRMVZONSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-9-16(13)17-6-5-15(25-17)10-23(14-3-4-14)18(24)20-7-2-8-22-12-19-11-21-22/h5-6,11-14,16H,2-4,7-10H2,1H3,(H,20,24)/t13-,16-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea?
1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea is sourced from PubChem (CID 94179278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).