5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine

C15H18BrN5 — CID 112941773

IUPAC5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Br)ccc1Nc1cnnc(NC2CCCC2)n1
InChIInChI=1S/C15H18BrN5/c1-10-8-11(16)6-7-13(10)19-14-9-17-21-15(20-14)18-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyNCXAMAGSYNLAPD-UHFFFAOYSA-N
MW348.25 g/mol
LogP4.04
Rot. Bonds4

About 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine

5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine (PubChem CID 112941773) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
PubChem CID112941773
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Br)ccc1Nc1cnnc(NC2CCCC2)n1
InChIInChI=1S/C15H18BrN5/c1-10-8-11(16)6-7-13(10)19-14-9-17-21-15(20-14)18-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyNCXAMAGSYNLAPD-UHFFFAOYSA-N
XLogP4.04
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
5-N-(5-chloro-2-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959291
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941706
3-N-cycloheptyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959272
3-N-cyclopentyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941745
3-N-cyclohexyl-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942542
3-N-cyclohexyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942501
3-N-(4-bromo-2-methylphenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965743
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942482
3-N-(4-bromo-2-methylphenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944495
3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939384

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine (CID 112941773) is 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine is Cc1cc(Br)ccc1Nc1cnnc(NC2CCCC2)n1.
What is the InChIKey of 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine?
The InChIKey is NCXAMAGSYNLAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-10-8-11(16)6-7-13(10)19-14-9-17-21-15(20-14)18-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine?
5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine has a molecular weight of 348.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112941773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).