2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol

C18H27N5O — CID 143458918

IUPAC2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol
SMILESC/C=C(\CC)c1cc(C2CCN(CCO)CC2)n2ncnc(N)c12
InChIInChI=1S/C18H27N5O/c1-3-13(4-2)15-11-16(23-17(15)18(19)20-12-21-23)14-5-7-22(8-6-14)9-10-24/h3,11-12,14,24H,4-10H2,1-2H3,(H2,19,20,21)/b13-3+
InChIKeyKTVZXTTZJGMXMA-QLKAYGNNSA-N
MW329.45 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol

2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol (PubChem CID 143458918) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol
PubChem CID143458918
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol
SMILESC/C=C(\CC)c1cc(C2CCN(CCO)CC2)n2ncnc(N)c12
InChIInChI=1S/C18H27N5O/c1-3-13(4-2)15-11-16(23-17(15)18(19)20-12-21-23)14-5-7-22(8-6-14)9-10-24/h3,11-12,14,24H,4-10H2,1-2H3,(H2,19,20,21)/b13-3+
InChIKeyKTVZXTTZJGMXMA-QLKAYGNNSA-N
XLogP2.30
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol (CID 143458918) is 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol is C/C=C(\CC)c1cc(C2CCN(CCO)CC2)n2ncnc(N)c12.
What is the InChIKey of 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol?
The InChIKey is KTVZXTTZJGMXMA-QLKAYGNNSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-13(4-2)15-11-16(23-17(15)18(19)20-12-21-23)14-5-7-22(8-6-14)9-10-24/h3,11-12,14,24H,4-10H2,1-2H3,(H2,19,20,21)/b13-3+.
What are the key properties of 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol?
2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol has a molecular weight of 329.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-5-[(E)-pent-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 143458918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).