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

C10H7ClF2N6 — CID 87350604

IUPAC2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESFC(F)c1cc(Nc2nc(Cl)nc3cccn23)n[nH]1
InChIInChI=1S/C10H7ClF2N6/c11-9-15-7-2-1-3-19(7)10(16-9)14-6-4-5(8(12)13)17-18-6/h1-4,8H,(H2,14,15,16,17,18)
InChIKeyMDZSULHBCRJNOJ-UHFFFAOYSA-N
MW284.66 g/mol
LogP2.79
Rot. Bonds3

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

2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine (PubChem CID 87350604) has the molecular formula C10H7ClF2N6 and a molecular weight of 284.66 g/mol. Its IUPAC name is 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
PubChem CID87350604
Molecular FormulaC10H7ClF2N6
Molecular Weight284.66 g/mol
Exact Mass284.04
IUPAC Name2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESFC(F)c1cc(Nc2nc(Cl)nc3cccn23)n[nH]1
InChIInChI=1S/C10H7ClF2N6/c11-9-15-7-2-1-3-19(7)10(16-9)14-6-4-5(8(12)13)17-18-6/h1-4,8H,(H2,14,15,16,17,18)
InChIKeyMDZSULHBCRJNOJ-UHFFFAOYSA-N
XLogP2.79
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-Methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71595886
8-methyl-3-propyl-N-(1H-pyrazol-5-yl)imidazo[1,5-c]pyrimidin-5-amine
CID 44292433
6H-pyrrolo(2,3-e)(1,2,4)triazolo(4,3-a)pyrazine
CID 136009486
5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 138008337
6-[4-(1H-pyrazol-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67339120
7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
CID 86604557
2-chloro-N-(5-(difluoromethyl)-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 86694761
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87343896
N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine
CID 123305260
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 134588676
(3R,5R)-1-(2,2-difluoroethyl)-5-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidin-3-amine
CID 136468231
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-amine
CID 141211652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine (CID 87350604) is 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine is FC(F)c1cc(Nc2nc(Cl)nc3cccn23)n[nH]1.
What is the InChIKey of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is MDZSULHBCRJNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N6/c11-9-15-7-2-1-3-19(7)10(16-9)14-6-4-5(8(12)13)17-18-6/h1-4,8H,(H2,14,15,16,17,18).
What are the key properties of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 284.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 87350604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).