7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine

C9H10ClN3 — CID 163275399

IUPAC7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1nc(C)c2c(C)cc(Cl)n2n1
InChIInChI=1S/C9H10ClN3/c1-5-4-8(10)13-9(5)6(2)11-7(3)12-13/h4H,1-3H3
InChIKeyOIQIROIPDXTXKA-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.31
Rot. Bonds

About 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine

7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163275399) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID163275399
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1nc(C)c2c(C)cc(Cl)n2n1
InChIInChI=1S/C9H10ClN3/c1-5-4-8(10)13-9(5)6(2)11-7(3)12-13/h4H,1-3H3
InChIKeyOIQIROIPDXTXKA-UHFFFAOYSA-N
XLogP2.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine (CID 163275399) is 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine is Cc1nc(C)c2c(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is OIQIROIPDXTXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-5-4-8(10)13-9(5)6(2)11-7(3)12-13/h4H,1-3H3.
What are the key properties of 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine?
7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 195.65 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163275399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).