4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C17H17N5O2 — CID 118446035

IUPAC4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNC(=O)c1ccn2nc([C@@H]3CCCN3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C17H17N5O2/c18-15(23)12-8-10-21-14(12)17(24)22(11-5-2-1-3-6-11)16(20-21)13-7-4-9-19-13/h1-3,5-6,8,10,13,19H,4,7,9H2,(H2,18,23)/t13-/m0/s1
InChIKeyWAMCXDXFZUKZHK-ZDUSSCGKSA-N
MW323.36 g/mol
LogP1.01
Rot. Bonds3

About 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 118446035) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID118446035
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNC(=O)c1ccn2nc([C@@H]3CCCN3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C17H17N5O2/c18-15(23)12-8-10-21-14(12)17(24)22(11-5-2-1-3-6-11)16(20-21)13-7-4-9-19-13/h1-3,5-6,8,10,13,19H,4,7,9H2,(H2,18,23)/t13-/m0/s1
InChIKeyWAMCXDXFZUKZHK-ZDUSSCGKSA-N
XLogP1.01
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 118446040
5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 123264331
5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one
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CID 118468920
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2-[[(2S)-azetidin-2-yl]-sulfanylmethyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 152933290
2-[(2S)-1-(6-amino-5-chloropyrimidin-4-yl)pyrrolidin-2-yl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 118446035) is 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is NC(=O)c1ccn2nc([C@@H]3CCCN3)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is WAMCXDXFZUKZHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-15(23)12-8-10-21-14(12)17(24)22(11-5-2-1-3-6-11)16(20-21)13-7-4-9-19-13/h1-3,5-6,8,10,13,19H,4,7,9H2,(H2,18,23)/t13-/m0/s1.
What are the key properties of 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 118446035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).