1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide

C14H17N5O3 — CID 16674728

IUPAC1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2ncc3cccn3c2=O)CC1
InChIInChI=1S/C14H17N5O3/c15-13(21)10-3-6-17(7-4-10)12(20)9-19-14(22)18-5-1-2-11(18)8-16-19/h1-2,5,8,10H,3-4,6-7,9H2,(H2,15,21)
InChIKeyMIXNHGNTGQTNON-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.78
Rot. Bonds3

About 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide

1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 16674728) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID16674728
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2ncc3cccn3c2=O)CC1
InChIInChI=1S/C14H17N5O3/c15-13(21)10-3-6-17(7-4-10)12(20)9-19-14(22)18-5-1-2-11(18)8-16-19/h1-2,5,8,10H,3-4,6-7,9H2,(H2,15,21)
InChIKeyMIXNHGNTGQTNON-UHFFFAOYSA-N
XLogP-0.78
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide (CID 16674728) is 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2ncc3cccn3c2=O)CC1.
What is the InChIKey of 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is MIXNHGNTGQTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c15-13(21)10-3-6-17(7-4-10)12(20)9-19-14(22)18-5-1-2-11(18)8-16-19/h1-2,5,8,10H,3-4,6-7,9H2,(H2,15,21).
What are the key properties of 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide?
1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 16674728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).