N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine

C13H9Cl2N5 — CID 2730357

IUPACN-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
SMILESClc1cc(Cl)cc(Nc2ncnc(-n3cccc3)n2)c1
InChIInChI=1S/C13H9Cl2N5/c14-9-5-10(15)7-11(6-9)18-12-16-8-17-13(19-12)20-3-1-2-4-20/h1-8H,(H,16,17,18,19)
InChIKeyVLFHXTUERUHJPB-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.71
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine

N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine (PubChem CID 2730357) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
PubChem CID2730357
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
SMILESClc1cc(Cl)cc(Nc2ncnc(-n3cccc3)n2)c1
InChIInChI=1S/C13H9Cl2N5/c14-9-5-10(15)7-11(6-9)18-12-16-8-17-13(19-12)20-3-1-2-4-20/h1-8H,(H,16,17,18,19)
InChIKeyVLFHXTUERUHJPB-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine (CID 2730357) is N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine is Clc1cc(Cl)cc(Nc2ncnc(-n3cccc3)n2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VLFHXTUERUHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-9-5-10(15)7-11(6-9)18-12-16-8-17-13(19-12)20-3-1-2-4-20/h1-8H,(H,16,17,18,19).
What are the key properties of N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 306.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2730357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).