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

C16H18N4O — CID 71187199

IUPAC[4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
SMILESCCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
InChIInChI=1S/C16H18N4O/c1-2-3-13-8-14(12-6-4-11(9-21)5-7-12)15-16(17)18-10-19-20(13)15/h4-8,10,21H,2-3,9H2,1H3,(H2,17,18,19)
InChIKeyRPDDCKONLMNWLS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds4

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

[4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol (PubChem CID 71187199) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
PubChem CID71187199
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
SMILESCCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
InChIInChI=1S/C16H18N4O/c1-2-3-13-8-14(12-6-4-11(9-21)5-7-12)15-16(17)18-10-19-20(13)15/h4-8,10,21H,2-3,9H2,1H3,(H2,17,18,19)
InChIKeyRPDDCKONLMNWLS-UHFFFAOYSA-N
XLogP2.42
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
The IUPAC name of [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol (CID 71187199) is [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
The canonical SMILES for [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol is CCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12.
What is the InChIKey of [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
The InChIKey is RPDDCKONLMNWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-3-13-8-14(12-6-4-11(9-21)5-7-12)15-16(17)18-10-19-20(13)15/h4-8,10,21H,2-3,9H2,1H3,(H2,17,18,19).
What are the key properties of [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol?
[4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol has a molecular weight of 282.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol is sourced from PubChem (CID 71187199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).