N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

C14H16BrN5 — CID 112941199

IUPACN-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1cc(Br)ccc1Nc1nncc(N2CCCC2)n1
InChIInChI=1S/C14H16BrN5/c1-10-8-11(15)4-5-12(10)17-14-18-13(9-16-19-14)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyAZORXIZISNFAIV-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.29
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941199) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941199
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC NameN-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1cc(Br)ccc1Nc1nncc(N2CCCC2)n1
InChIInChI=1S/C14H16BrN5/c1-10-8-11(15)4-5-12(10)17-14-18-13(9-16-19-14)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyAZORXIZISNFAIV-UHFFFAOYSA-N
XLogP3.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941171
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941921
3-N-(4-bromo-2-methylphenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965743
5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112955328
5-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-methylphenyl)-1,2,4-triazin-3-amine
CID 112955348
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926128

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112941199) is N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is Cc1cc(Br)ccc1Nc1nncc(N2CCCC2)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is AZORXIZISNFAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-10-8-11(15)4-5-12(10)17-14-18-13(9-16-19-14)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 334.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).