5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H17ClN6O — CID 130362901

IUPAC5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(Cl)c12
InChIInChI=1S/C18H17ClN6O/c19-14-8-16(25-17(14)18(20)21-10-23-25)11-1-2-12-9-22-24(15(12)7-11)13-3-5-26-6-4-13/h1-2,7-10,13H,3-6H2,(H2,20,21,23)
InChIKeyJVMCJWZDTFCIES-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.33
Rot. Bonds2

About 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130362901) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130362901
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(Cl)c12
InChIInChI=1S/C18H17ClN6O/c19-14-8-16(25-17(14)18(20)21-10-23-25)11-1-2-12-9-22-24(15(12)7-11)13-3-5-26-6-4-13/h1-2,7-10,13H,3-6H2,(H2,20,21,23)
InChIKeyJVMCJWZDTFCIES-UHFFFAOYSA-N
XLogP3.33
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130362901) is 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(Cl)c12.
What is the InChIKey of 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JVMCJWZDTFCIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-14-8-16(25-17(14)18(20)21-10-23-25)11-1-2-12-9-22-24(15(12)7-11)13-3-5-26-6-4-13/h1-2,7-10,13H,3-6H2,(H2,20,21,23).
What are the key properties of 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 368.83 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130362901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).