3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one

C14H18N6O2 — CID 154871579

IUPAC3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1Cc2nccn2C1)N1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H18N6O2/c21-13(10-7-11-15-3-6-20(11)8-10)19-4-1-9(2-5-19)12-16-14(22)18-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H2,16,17,18,22)
InChIKeyQEKIQTPNADPCLZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.13
Rot. Bonds2

About 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 154871579) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID154871579
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1Cc2nccn2C1)N1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H18N6O2/c21-13(10-7-11-15-3-6-20(11)8-10)19-4-1-9(2-5-19)12-16-14(22)18-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H2,16,17,18,22)
InChIKeyQEKIQTPNADPCLZ-UHFFFAOYSA-N
XLogP-0.13
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 154871579) is 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(C1Cc2nccn2C1)N1CCC(c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is QEKIQTPNADPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-13(10-7-11-15-3-6-20(11)8-10)19-4-1-9(2-5-19)12-16-14(22)18-17-12/h3,6,9-10H,1-2,4-5,7-8H2,(H2,16,17,18,22).
What are the key properties of 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 302.34 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 154871579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).