N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride

C15H20ClN5O — CID 69317613

IUPACN-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride
SMILESCl.c1ccc(OCC2CCNCC2)c(Nc2nccnn2)c1
InChIInChI=1S/C15H19N5O.ClH/c1-2-4-14(21-11-12-5-7-16-8-6-12)13(3-1)19-15-17-9-10-18-20-15;/h1-4,9-10,12,16H,5-8,11H2,(H,17,19,20);1H
InChIKeyKFJNCTAIWULTRT-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride

N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride (PubChem CID 69317613) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride
PubChem CID69317613
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride
SMILESCl.c1ccc(OCC2CCNCC2)c(Nc2nccnn2)c1
InChIInChI=1S/C15H19N5O.ClH/c1-2-4-14(21-11-12-5-7-16-8-6-12)13(3-1)19-15-17-9-10-18-20-15;/h1-4,9-10,12,16H,5-8,11H2,(H,17,19,20);1H
InChIKeyKFJNCTAIWULTRT-UHFFFAOYSA-N
XLogP2.42
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride?
The IUPAC name of N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride (CID 69317613) is N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride.
What is the SMILES notation for N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride?
The canonical SMILES for N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride is Cl.c1ccc(OCC2CCNCC2)c(Nc2nccnn2)c1.
What is the InChIKey of N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride?
The InChIKey is KFJNCTAIWULTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-2-4-14(21-11-12-5-7-16-8-6-12)13(3-1)19-15-17-9-10-18-20-15;/h1-4,9-10,12,16H,5-8,11H2,(H,17,19,20);1H.
What are the key properties of N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride?
N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride is sourced from PubChem (CID 69317613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).