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

C19H24N4O — CID 56814505

IUPAC1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-14-4-6-15(7-5-14)13-18(24)22-11-8-16(9-12-22)19-21-20-17-3-2-10-23(17)19/h4-7,16H,2-3,8-13H2,1H3
InChIKeyVYHHDININFBFJN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.48
Rot. Bonds3

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

1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 56814505) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID56814505
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-14-4-6-15(7-5-14)13-18(24)22-11-8-16(9-12-22)19-21-20-17-3-2-10-23(17)19/h4-7,16H,2-3,8-13H2,1H3
InChIKeyVYHHDININFBFJN-UHFFFAOYSA-N
XLogP2.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 56814505) is 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is VYHHDININFBFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-4-6-15(7-5-14)13-18(24)22-11-8-16(9-12-22)19-21-20-17-3-2-10-23(17)19/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 56814505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).