4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C12H10N6O — CID 118711846

IUPAC4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C12H10N6O/c13-11(19)8-5-10-12(15-7-16-18(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H2,13,19)(H,14,15,16,17)
InChIKeySBISXHXVNJOLQF-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.97
Rot. Bonds3

About 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 118711846) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID118711846
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C12H10N6O/c13-11(19)8-5-10-12(15-7-16-18(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H2,13,19)(H,14,15,16,17)
InChIKeySBISXHXVNJOLQF-UHFFFAOYSA-N
XLogP0.97
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 118711846) is 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is NC(=O)c1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is SBISXHXVNJOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-11(19)8-5-10-12(15-7-16-18(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H2,13,19)(H,14,15,16,17).
What are the key properties of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 118711846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).