4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine

C14H10Cl2F2N6 — CID 87599635

IUPAC4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESFc1ccc(CCc2cc(Nc3nc(Cl)nc(Cl)n3)n[nH]2)cc1F
InChIInChI=1S/C14H10Cl2F2N6/c15-12-20-13(16)22-14(21-12)19-11-6-8(23-24-11)3-1-7-2-4-9(17)10(18)5-7/h2,4-6H,1,3H2,(H2,19,20,21,22,23,24)
InChIKeyAKPCPPISGKMZDA-UHFFFAOYSA-N
MW371.18 g/mol
LogP3.71
Rot. Bonds5

About 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine (PubChem CID 87599635) has the molecular formula C14H10Cl2F2N6 and a molecular weight of 371.18 g/mol. Its IUPAC name is 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
PubChem CID87599635
Molecular FormulaC14H10Cl2F2N6
Molecular Weight371.18 g/mol
Exact Mass370.03
IUPAC Name4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESFc1ccc(CCc2cc(Nc3nc(Cl)nc(Cl)n3)n[nH]2)cc1F
InChIInChI=1S/C14H10Cl2F2N6/c15-12-20-13(16)22-14(21-12)19-11-6-8(23-24-11)3-1-7-2-4-9(17)10(18)5-7/h2,4-6H,1,3H2,(H2,19,20,21,22,23,24)
InChIKeyAKPCPPISGKMZDA-UHFFFAOYSA-N
XLogP3.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
CID 169091811
6-chloro-4-N-[5-[2-(3-fluorophenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 87598440
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891626
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759681

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine (CID 87599635) is 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine is Fc1ccc(CCc2cc(Nc3nc(Cl)nc(Cl)n3)n[nH]2)cc1F.
What is the InChIKey of 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is AKPCPPISGKMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N6/c15-12-20-13(16)22-14(21-12)19-11-6-8(23-24-11)3-1-7-2-4-9(17)10(18)5-7/h2,4-6H,1,3H2,(H2,19,20,21,22,23,24).
What are the key properties of 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 371.18 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 87599635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).