N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

C11H19N5O — CID 112941809

IUPACN-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCOCCNc1nncc(N2CCCCC2)n1
InChIInChI=1S/C11H19N5O/c1-17-8-5-12-11-14-10(9-13-15-11)16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,12,14,15)
InChIKeyOJVTWAORVNJGGC-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.92
Rot. Bonds5

About N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941809) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941809
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCOCCNc1nncc(N2CCCCC2)n1
InChIInChI=1S/C11H19N5O/c1-17-8-5-12-11-14-10(9-13-15-11)16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,12,14,15)
InChIKeyOJVTWAORVNJGGC-UHFFFAOYSA-N
XLogP0.92
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943549
5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943516
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461
N-(3-methoxypropyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943886
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938975
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944091
N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112939679
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941809) is N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is COCCNc1nncc(N2CCCCC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is OJVTWAORVNJGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-17-8-5-12-11-14-10(9-13-15-11)16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,12,14,15).
What are the key properties of N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 237.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).