(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide

C19H20N4O2 — CID 171511776

IUPAC(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCOC2)cc1-c1ncc2cccn2n1
InChIInChI=1S/C19H20N4O2/c1-13-6-7-15(21-19(24)14-4-3-9-25-12-14)10-17(13)18-20-11-16-5-2-8-23(16)22-18/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyHZQKKVMULBAYID-CQSZACIVSA-N
MW336.40 g/mol
LogP3.07
Rot. Bonds3

About (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide

(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide (PubChem CID 171511776) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide
PubChem CID171511776
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCOC2)cc1-c1ncc2cccn2n1
InChIInChI=1S/C19H20N4O2/c1-13-6-7-15(21-19(24)14-4-3-9-25-12-14)10-17(13)18-20-11-16-5-2-8-23(16)22-18/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyHZQKKVMULBAYID-CQSZACIVSA-N
XLogP3.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide?
The IUPAC name of (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide (CID 171511776) is (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCOC2)cc1-c1ncc2cccn2n1.
What is the InChIKey of (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide?
The InChIKey is HZQKKVMULBAYID-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-6-7-15(21-19(24)14-4-3-9-25-12-14)10-17(13)18-20-11-16-5-2-8-23(16)22-18/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide?
(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 171511776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).