1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C16H24N6O2 — CID 97089880

IUPAC1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nncn1C
InChIInChI=1S/C16H24N6O2/c1-12(15-20-18-11-21(15)2)19-16(23)17-10-13(14-6-5-9-24-14)22-7-3-4-8-22/h5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H2,17,19,23)/t12-,13-/m0/s1
InChIKeyRJLYCZWHGNXAME-STQMWFEESA-N
MW332.41 g/mol
LogP1.61
Rot. Bonds6

About 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 97089880) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID97089880
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nncn1C
InChIInChI=1S/C16H24N6O2/c1-12(15-20-18-11-21(15)2)19-16(23)17-10-13(14-6-5-9-24-14)22-7-3-4-8-22/h5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H2,17,19,23)/t12-,13-/m0/s1
InChIKeyRJLYCZWHGNXAME-STQMWFEESA-N
XLogP1.61
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97089877
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94153994
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146032
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146031
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95131195
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 52503052
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111303983
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 97089880) is 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nncn1C.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is RJLYCZWHGNXAME-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(15-20-18-11-21(15)2)19-16(23)17-10-13(14-6-5-9-24-14)22-7-3-4-8-22/h5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H2,17,19,23)/t12-,13-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 332.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 97089880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).