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

C13H10ClN5 — CID 2730361

IUPACN-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
SMILESClc1ccccc1Nc1ncnc(-n2cccc2)n1
InChIInChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18)
InChIKeyOQHYTNFJMHVUCY-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.06
Rot. Bonds3

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

N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine (PubChem CID 2730361) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
PubChem CID2730361
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC NameN-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
SMILESClc1ccccc1Nc1ncnc(-n2cccc2)n1
InChIInChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18)
InChIKeyOQHYTNFJMHVUCY-UHFFFAOYSA-N
XLogP3.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine (CID 2730361) is N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine is Clc1ccccc1Nc1ncnc(-n2cccc2)n1.
What is the InChIKey of N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OQHYTNFJMHVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18).
What are the key properties of N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 271.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2730361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).