2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol

C14H15N5O — CID 118711845

IUPAC2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C14H15N5O/c1-14(2,20)10-7-12-13(16-9-17-19(12)8-10)18-11-3-5-15-6-4-11/h3-9,20H,1-2H3,(H,15,16,17,18)
InChIKeyCNRKFSOKFMEBMF-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol

2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol (PubChem CID 118711845) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
PubChem CID118711845
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C14H15N5O/c1-14(2,20)10-7-12-13(16-9-17-19(12)8-10)18-11-3-5-15-6-4-11/h3-9,20H,1-2H3,(H,15,16,17,18)
InChIKeyCNRKFSOKFMEBMF-UHFFFAOYSA-N
XLogP2.10
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
The IUPAC name of 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol (CID 118711845) is 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
The canonical SMILES for 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol is CC(C)(O)c1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
The InChIKey is CNRKFSOKFMEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-14(2,20)10-7-12-13(16-9-17-19(12)8-10)18-11-3-5-15-6-4-11/h3-9,20H,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol is sourced from PubChem (CID 118711845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).