2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

C15H19N9O2 — CID 122515239

IUPAC2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12
InChIInChI=1S/C15H19N9O2/c1-17-14(26)12-10(8-23(2)21-12)20-13(25)11-4-3-9-7-19-15(18-6-5-16)22-24(9)11/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,26)(H,18,22)(H,20,25)
InChIKeyDYTRDFWAZIHWGJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP-0.55
Rot. Bonds6

About 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (PubChem CID 122515239) has the molecular formula C15H19N9O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
PubChem CID122515239
Molecular FormulaC15H19N9O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12
InChIInChI=1S/C15H19N9O2/c1-17-14(26)12-10(8-23(2)21-12)20-13(25)11-4-3-9-7-19-15(18-6-5-16)22-24(9)11/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,26)(H,18,22)(H,20,25)
InChIKeyDYTRDFWAZIHWGJ-UHFFFAOYSA-N
XLogP-0.55
TPSA144.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (CID 122515239) is 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12.
What is the InChIKey of 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The InChIKey is DYTRDFWAZIHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9O2/c1-17-14(26)12-10(8-23(2)21-12)20-13(25)11-4-3-9-7-19-15(18-6-5-16)22-24(9)11/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,26)(H,18,22)(H,20,25).
What are the key properties of 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide has a molecular weight of 357.38 g/mol, XLogP of -0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 122515239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).