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

C18H25N5O2 — CID 94119972

IUPAC1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@H](NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1)c1nncn1C
InChIInChI=1S/C18H25N5O2/c1-11-8-15(11)16-7-6-14(25-16)9-23(13-4-5-13)18(24)20-12(2)17-21-19-10-22(17)3/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,20,24)/t11-,12+,15+/m1/s1
InChIKeyUDSRLLFUACNSMY-XUJVJEKNSA-N
MW343.43 g/mol
LogP2.97
Rot. Bonds6

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

1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 94119972) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID94119972
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@H](NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1)c1nncn1C
InChIInChI=1S/C18H25N5O2/c1-11-8-15(11)16-7-6-14(25-16)9-23(13-4-5-13)18(24)20-12(2)17-21-19-10-22(17)3/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,20,24)/t11-,12+,15+/m1/s1
InChIKeyUDSRLLFUACNSMY-XUJVJEKNSA-N
XLogP2.97
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 94119972) is 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is C[C@H](NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1)c1nncn1C.
What is the InChIKey of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is UDSRLLFUACNSMY-XUJVJEKNSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-8-15(11)16-7-6-14(25-16)9-23(13-4-5-13)18(24)20-12(2)17-21-19-10-22(17)3/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,20,24)/t11-,12+,15+/m1/s1.
What are the key properties of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.97, 6 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,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 94119972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).