1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea

C18H25N5O2 — CID 71972710

IUPAC1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESO=C(NCCc1nnc2n1CCC2)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C18H25N5O2/c24-18(19-10-9-17-21-20-16-8-3-11-22(16)17)23(14-5-1-2-6-14)13-15-7-4-12-25-15/h4,7,12,14H,1-3,5-6,8-11,13H2,(H,19,24)
InChIKeyPTKIYBYBSRFXIW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.51
Rot. Bonds6

About 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea

1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea (PubChem CID 71972710) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea
PubChem CID71972710
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESO=C(NCCc1nnc2n1CCC2)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C18H25N5O2/c24-18(19-10-9-17-21-20-16-8-3-11-22(16)17)23(14-5-1-2-6-14)13-15-7-4-12-25-15/h4,7,12,14H,1-3,5-6,8-11,13H2,(H,19,24)
InChIKeyPTKIYBYBSRFXIW-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97048924
1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95151771
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 71896191
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)urea
CID 71922272
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
CID 97078813
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
CID 39977410
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]thiadiazole-4-carboxamide
CID 60557232
N-cyclohexyl-N-(furan-2-ylmethyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 22520713
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-(2-thiophen-3-ylethyl)urea
CID 53499166
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]guanidine
CID 111399327
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51307429
2-chloro-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 51307423

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea (CID 71972710) is 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea is O=C(NCCc1nnc2n1CCC2)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is PTKIYBYBSRFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(19-10-9-17-21-20-16-8-3-11-22(16)17)23(14-5-1-2-6-14)13-15-7-4-12-25-15/h4,7,12,14H,1-3,5-6,8-11,13H2,(H,19,24).
What are the key properties of 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea?
1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 71972710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).