2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine

C10H8ClFN6 — CID 87343896

IUPAC2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc3cc(F)cn23)n[nH]1
InChIInChI=1S/C10H8ClFN6/c1-5-2-7(17-16-5)13-10-15-9(11)14-8-3-6(12)4-18(8)10/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyZCGQLBPNXHHDDR-UHFFFAOYSA-N
MW266.67 g/mol
LogP2.30
Rot. Bonds2

About 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine

2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (PubChem CID 87343896) has the molecular formula C10H8ClFN6 and a molecular weight of 266.67 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
PubChem CID87343896
Molecular FormulaC10H8ClFN6
Molecular Weight266.67 g/mol
Exact Mass266.05
IUPAC Name2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc3cc(F)cn23)n[nH]1
InChIInChI=1S/C10H8ClFN6/c1-5-2-7(17-16-5)13-10-15-9(11)14-8-3-6(12)4-18(8)10/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyZCGQLBPNXHHDDR-UHFFFAOYSA-N
XLogP2.30
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
CID 66985005
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
CID 87622938
7-[3-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)phenyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59298995
[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
CID 59299184
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
3-fluoro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 175886124
N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide
CID 59299227
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146645356
7-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-7-[3-(3-methylimidazol-4-yl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 69328154
[(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]methyl] 2-aminopropanoate
CID 66985027
2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 146644992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (CID 87343896) is 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is Cc1cc(Nc2nc(Cl)nc3cc(F)cn23)n[nH]1.
What is the InChIKey of 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is ZCGQLBPNXHHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN6/c1-5-2-7(17-16-5)13-10-15-9(11)14-8-3-6(12)4-18(8)10/h2-4H,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 266.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 87343896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).