[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone

C18H22N4O2 — CID 95588595

IUPAC[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C([C@H]1C[C@H]1c1ccco1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C18H22N4O2/c23-18(14-11-13(14)15-3-2-10-24-15)21-8-5-12(6-9-21)17-20-19-16-4-1-7-22(16)17/h2-3,10,12-14H,1,4-9,11H2/t13-,14+/m1/s1
InChIKeyRVMVFNDAOOVZCK-KGLIPLIRSA-N
MW326.40 g/mol
LogP2.33
Rot. Bonds3

About [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone

[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 95588595) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
PubChem CID95588595
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C([C@H]1C[C@H]1c1ccco1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C18H22N4O2/c23-18(14-11-13(14)15-3-2-10-24-15)21-8-5-12(6-9-21)17-20-19-16-4-1-7-22(16)17/h2-3,10,12-14H,1,4-9,11H2/t13-,14+/m1/s1
InChIKeyRVMVFNDAOOVZCK-KGLIPLIRSA-N
XLogP2.33
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone (CID 95588595) is [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone is O=C([C@H]1C[C@H]1c1ccco1)N1CCC(c2nnc3n2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is RVMVFNDAOOVZCK-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(14-11-13(14)15-3-2-10-24-15)21-8-5-12(6-9-21)17-20-19-16-4-1-7-22(16)17/h2-3,10,12-14H,1,4-9,11H2/t13-,14+/m1/s1.
What are the key properties of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 95588595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).