6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine

C10H12ClN3O — CID 164757978

IUPAC6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1c(Cl)cn2ncnc(C(C)C)c12
InChIInChI=1S/C10H12ClN3O/c1-6(2)8-9-10(15-3)7(11)4-14(9)13-5-12-8/h4-6H,1-3H3
InChIKeyCOHAXIKFRLINCW-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.51
Rot. Bonds2

About 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine

6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 164757978) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID164757978
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1c(Cl)cn2ncnc(C(C)C)c12
InChIInChI=1S/C10H12ClN3O/c1-6(2)8-9-10(15-3)7(11)4-14(9)13-5-12-8/h4-6H,1-3H3
InChIKeyCOHAXIKFRLINCW-UHFFFAOYSA-N
XLogP2.51
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine (CID 164757978) is 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine is COc1c(Cl)cn2ncnc(C(C)C)c12.
What is the InChIKey of 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is COHAXIKFRLINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6(2)8-9-10(15-3)7(11)4-14(9)13-5-12-8/h4-6H,1-3H3.
What are the key properties of 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 225.68 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 164757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).