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

C15H19N5O2 — CID 112941171

IUPACN-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCOc1ccc(Nc2nncc(N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C15H19N5O2/c1-21-11-5-6-12(13(9-11)22-2)17-15-18-14(10-16-19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHUHXFAXSMLHBBV-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.23
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941171) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941171
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCOc1ccc(Nc2nncc(N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C15H19N5O2/c1-21-11-5-6-12(13(9-11)22-2)17-15-18-14(10-16-19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHUHXFAXSMLHBBV-UHFFFAOYSA-N
XLogP2.23
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941199
N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957363
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
3-N-(2,4-dimethoxyphenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967673
5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961888
3-N-cyclopentyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941745
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
3-N-cyclohexyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942501
5-N-(2,4-dimethoxyphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963248

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112941171) is N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is COc1ccc(Nc2nncc(N3CCCC3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is HUHXFAXSMLHBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-21-11-5-6-12(13(9-11)22-2)17-15-18-14(10-16-19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 301.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).