[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone

C19H27N5O — CID 56817989

IUPAC[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCCn1c(C)cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1C
InChIInChI=1S/C19H27N5O/c1-4-23-13(2)12-16(14(23)3)19(25)22-10-7-15(8-11-22)18-21-20-17-6-5-9-24(17)18/h12,15H,4-11H2,1-3H3
InChIKeyFKDXNLRFKRDOPG-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.68
Rot. Bonds3

About [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone

[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone (PubChem CID 56817989) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
PubChem CID56817989
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCCn1c(C)cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1C
InChIInChI=1S/C19H27N5O/c1-4-23-13(2)12-16(14(23)3)19(25)22-10-7-15(8-11-22)18-21-20-17-6-5-9-24(17)18/h12,15H,4-11H2,1-3H3
InChIKeyFKDXNLRFKRDOPG-UHFFFAOYSA-N
XLogP2.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.68
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]-(1-ethyl-2,5-dimethylpyrrol-3-yl)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]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone (CID 56817989) is [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)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]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone is CCn1c(C)cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1C.
What is the InChIKey of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
The InChIKey is FKDXNLRFKRDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-23-13(2)12-16(14(23)3)19(25)22-10-7-15(8-11-22)18-21-20-17-6-5-9-24(17)18/h12,15H,4-11H2,1-3H3.
What are the key properties of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.68, 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]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 56817989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).