6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine

C9H12ClFN4 — CID 171553455

IUPAC6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine
SMILESCc1nc(N2CCC[C@H]2CF)nnc1Cl
InChIInChI=1S/C9H12ClFN4/c1-6-8(10)13-14-9(12-6)15-4-2-3-7(15)5-11/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyQUVSKBIENNSVHK-ZETCQYMHSA-N
MW230.67 g/mol
LogP1.77
Rot. Bonds2

About 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine

6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine (PubChem CID 171553455) has the molecular formula C9H12ClFN4 and a molecular weight of 230.67 g/mol. Its IUPAC name is 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine.

Molecular Properties

Compound Name6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine
PubChem CID171553455
Molecular FormulaC9H12ClFN4
Molecular Weight230.67 g/mol
Exact Mass230.07
IUPAC Name6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine
SMILESCc1nc(N2CCC[C@H]2CF)nnc1Cl
InChIInChI=1S/C9H12ClFN4/c1-6-8(10)13-14-9(12-6)15-4-2-3-7(15)5-11/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyQUVSKBIENNSVHK-ZETCQYMHSA-N
XLogP1.77
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine 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

6-chloro-N-[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 166152957
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
6-chloro-N-[(1S)-3,3-difluorocyclopentyl]-5-methyl-1,2,4-triazin-3-amine
CID 171763707
6-chloro-N-[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918006
6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
CID 176918010
6-chloro-N-[(3R,5R)-1-cyclobutyl-5-fluoropiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918020
6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918051
6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918056
6-chloro-N-[(3R,5R)-5-fluoro-1-propan-2-ylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918080
6-chloro-N-[(3R,5R)-1-ethyl-5-fluoropiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 178816044
6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
CID 166099116
6-Chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine
CID 166152933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine?
The IUPAC name of 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine (CID 171553455) is 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine.
What is the SMILES notation for 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine?
The canonical SMILES for 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine is Cc1nc(N2CCC[C@H]2CF)nnc1Cl.
What is the InChIKey of 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine?
The InChIKey is QUVSKBIENNSVHK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClFN4/c1-6-8(10)13-14-9(12-6)15-4-2-3-7(15)5-11/h7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine?
6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine has a molecular weight of 230.67 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine is sourced from PubChem (CID 171553455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).