4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol

C11H13ClN4O — CID 170967077

IUPAC4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol
SMILESOC1(c2ccn3ncnc(Cl)c23)CCNCC1
InChIInChI=1S/C11H13ClN4O/c12-10-9-8(1-6-16(9)15-7-14-10)11(17)2-4-13-5-3-11/h1,6-7,13,17H,2-5H2
InChIKeyUBAOVJWPEYPJOU-UHFFFAOYSA-N
MW252.70 g/mol
LogP0.95
Rot. Bonds1

About 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol

4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol (PubChem CID 170967077) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol
PubChem CID170967077
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol
SMILESOC1(c2ccn3ncnc(Cl)c23)CCNCC1
InChIInChI=1S/C11H13ClN4O/c12-10-9-8(1-6-16(9)15-7-14-10)11(17)2-4-13-5-3-11/h1,6-7,13,17H,2-5H2
InChIKeyUBAOVJWPEYPJOU-UHFFFAOYSA-N
XLogP0.95
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol?
The IUPAC name of 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol (CID 170967077) is 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol is OC1(c2ccn3ncnc(Cl)c23)CCNCC1.
What is the InChIKey of 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol?
The InChIKey is UBAOVJWPEYPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-10-9-8(1-6-16(9)15-7-14-10)11(17)2-4-13-5-3-11/h1,6-7,13,17H,2-5H2.
What are the key properties of 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol?
4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol has a molecular weight of 252.70 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)piperidin-4-ol is sourced from PubChem (CID 170967077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).