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

C8H5ClN4 — CID 167049143

IUPAC4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
SMILESCc1cc(C#N)n2ncnc(Cl)c12
InChIInChI=1S/C8H5ClN4/c1-5-2-6(3-10)13-7(5)8(9)11-4-12-13/h2,4H,1H3
InChIKeyKGNMBHZVMLTGNI-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.56
Rot. Bonds

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

4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile (PubChem CID 167049143) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
PubChem CID167049143
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
SMILESCc1cc(C#N)n2ncnc(Cl)c12
InChIInChI=1S/C8H5ClN4/c1-5-2-6(3-10)13-7(5)8(9)11-4-12-13/h2,4H,1H3
InChIKeyKGNMBHZVMLTGNI-UHFFFAOYSA-N
XLogP1.56
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-methylpyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146014066
5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile
CID 122540634
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
4-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3-fluorobenzonitrile
CID 107664697
3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 122540683
5-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile
CID 122540688
4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130362883
2-(3-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672777
4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile
CID 103076555
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
2-chloro-3-methylpyridine-4-carbonitrile
CID 58188815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile?
The IUPAC name of 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile (CID 167049143) is 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile.
What is the SMILES notation for 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile?
The canonical SMILES for 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile is Cc1cc(C#N)n2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile?
The InChIKey is KGNMBHZVMLTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c1-5-2-6(3-10)13-7(5)8(9)11-4-12-13/h2,4H,1H3.
What are the key properties of 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile?
4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile is sourced from PubChem (CID 167049143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).