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

C12H8N6 — CID 118711843

IUPAC4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
SMILESN#Cc1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C12H8N6/c13-6-9-5-11-12(15-8-16-18(11)7-9)17-10-1-3-14-4-2-10/h1-5,7-8H,(H,14,15,16,17)
InChIKeyTXDAGJCPRVBGNZ-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.74
Rot. Bonds2

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

4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (PubChem CID 118711843) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile.

Molecular Properties

Compound Name4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
PubChem CID118711843
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
SMILESN#Cc1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C12H8N6/c13-6-9-5-11-12(15-8-16-18(11)7-9)17-10-1-3-14-4-2-10/h1-5,7-8H,(H,14,15,16,17)
InChIKeyTXDAGJCPRVBGNZ-UHFFFAOYSA-N
XLogP1.74
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
The IUPAC name of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile (CID 118711843) is 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile.
What is the SMILES notation for 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
The canonical SMILES for 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile is N#Cc1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
The InChIKey is TXDAGJCPRVBGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c13-6-9-5-11-12(15-8-16-18(11)7-9)17-10-1-3-14-4-2-10/h1-5,7-8H,(H,14,15,16,17).
What are the key properties of 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile?
4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile has a molecular weight of 236.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 118711843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).