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

C14H14N6O — CID 118711847

IUPACN-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C14H14N6O/c1-2-16-14(21)10-7-12-13(17-9-18-20(12)8-10)19-11-3-5-15-6-4-11/h3-9H,2H2,1H3,(H,16,21)(H,15,17,18,19)
InChIKeyMKUDTVYCMJXTKR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.62
Rot. Bonds4

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

N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 118711847) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID118711847
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C14H14N6O/c1-2-16-14(21)10-7-12-13(17-9-18-20(12)8-10)19-11-3-5-15-6-4-11/h3-9H,2H2,1H3,(H,16,21)(H,15,17,18,19)
InChIKeyMKUDTVYCMJXTKR-UHFFFAOYSA-N
XLogP1.62
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 118711847) is N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CCNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is MKUDTVYCMJXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-16-14(21)10-7-12-13(17-9-18-20(12)8-10)19-11-3-5-15-6-4-11/h3-9H,2H2,1H3,(H,16,21)(H,15,17,18,19).
What are the key properties of N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 118711847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).