6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine

C15H20N6O — CID 58103107

IUPAC6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc(OCCN3CCCC3)c2)c(N)n1
InChIInChI=1S/C15H20N6O/c16-14-13(19-20-15(17)18-14)11-4-3-5-12(10-11)22-9-8-21-6-1-2-7-21/h3-5,10H,1-2,6-9H2,(H4,16,17,18,20)
InChIKeyMGKSJMGGPKLFEX-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.18
Rot. Bonds5

About 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine

6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine (PubChem CID 58103107) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
PubChem CID58103107
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc(OCCN3CCCC3)c2)c(N)n1
InChIInChI=1S/C15H20N6O/c16-14-13(19-20-15(17)18-14)11-4-3-5-12(10-11)22-9-8-21-6-1-2-7-21/h3-5,10H,1-2,6-9H2,(H4,16,17,18,20)
InChIKeyMGKSJMGGPKLFEX-UHFFFAOYSA-N
XLogP1.18
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
2,4-diamino-6-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397668
2,4-diamino-6-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397675
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
6-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,4-triazine-3,5-diamine
CID 66864966
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 171470139
3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 20789037
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
5-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]-2H-triazole-4-carbonitrile
CID 146558143

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine (CID 58103107) is 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cccc(OCCN3CCCC3)c2)c(N)n1.
What is the InChIKey of 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is MGKSJMGGPKLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c16-14-13(19-20-15(17)18-14)11-4-3-5-12(10-11)22-9-8-21-6-1-2-7-21/h3-5,10H,1-2,6-9H2,(H4,16,17,18,20).
What are the key properties of 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine?
6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 300.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 58103107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).