N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride

C12H20ClN5O2 — CID 3080434

IUPACN-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride
SMILESCCCc1nc(NC(C)=O)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C12H19N5O2.ClH/c1-3-4-10-14-11(13-9(2)18)16-12(15-10)17-5-7-19-8-6-17;/h3-8H2,1-2H3,(H,13,14,15,16,18);1H
InChIKeyVLLNECMOSAJZSK-UHFFFAOYSA-N
MW301.78 g/mol
LogP1.04
Rot. Bonds4

About N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride

N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride (PubChem CID 3080434) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride
PubChem CID3080434
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC NameN-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride
SMILESCCCc1nc(NC(C)=O)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C12H19N5O2.ClH/c1-3-4-10-14-11(13-9(2)18)16-12(15-10)17-5-7-19-8-6-17;/h3-8H2,1-2H3,(H,13,14,15,16,18);1H
InChIKeyVLLNECMOSAJZSK-UHFFFAOYSA-N
XLogP1.04
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride (CID 3080434) is N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride is CCCc1nc(NC(C)=O)nc(N2CCOCC2)n1.Cl.
What is the InChIKey of N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
The InChIKey is VLLNECMOSAJZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2.ClH/c1-3-4-10-14-11(13-9(2)18)16-12(15-10)17-5-7-19-8-6-17;/h3-8H2,1-2H3,(H,13,14,15,16,18);1H.
What are the key properties of N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 3080434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).