[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol

C18H21N5O — CID 71187489

IUPAC[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
SMILESNc1ncnn2c(C3CCNCC3)cc(-c3ccc(CO)cc3)c12
InChIInChI=1S/C18H21N5O/c19-18-17-15(13-3-1-12(10-24)2-4-13)9-16(23(17)22-11-21-18)14-5-7-20-8-6-14/h1-4,9,11,14,20,24H,5-8,10H2,(H2,19,21,22)
InChIKeyFTOVONKHJWIYDZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.94
Rot. Bonds3

About [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol

[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol (PubChem CID 71187489) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
PubChem CID71187489
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
SMILESNc1ncnn2c(C3CCNCC3)cc(-c3ccc(CO)cc3)c12
InChIInChI=1S/C18H21N5O/c19-18-17-15(13-3-1-12(10-24)2-4-13)9-16(23(17)22-11-21-18)14-5-7-20-8-6-14/h1-4,9,11,14,20,24H,5-8,10H2,(H2,19,21,22)
InChIKeyFTOVONKHJWIYDZ-UHFFFAOYSA-N
XLogP1.94
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
The IUPAC name of [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol (CID 71187489) is [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
The canonical SMILES for [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol is Nc1ncnn2c(C3CCNCC3)cc(-c3ccc(CO)cc3)c12.
What is the InChIKey of [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
The InChIKey is FTOVONKHJWIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-18-17-15(13-3-1-12(10-24)2-4-13)9-16(23(17)22-11-21-18)14-5-7-20-8-6-14/h1-4,9,11,14,20,24H,5-8,10H2,(H2,19,21,22).
What are the key properties of [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol has a molecular weight of 323.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol is sourced from PubChem (CID 71187489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).