[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride

C15H26ClN5O2 — CID 3080132

IUPAC[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCc1nc(N2CCOCC2)nc(N2CCCC2CO)n1.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-2-4-13-16-14(19-7-9-22-10-8-19)18-15(17-13)20-6-3-5-12(20)11-21;/h12,21H,2-11H2,1H3;1H
InChIKeyVCFYUEOVAHHWMT-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.04
Rot. Bonds5

About [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride

[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 3080132) has the molecular formula C15H26ClN5O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID3080132
Molecular FormulaC15H26ClN5O2
Molecular Weight343.86 g/mol
Exact Mass343.18
IUPAC Name[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCc1nc(N2CCOCC2)nc(N2CCCC2CO)n1.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-2-4-13-16-14(19-7-9-22-10-8-19)18-15(17-13)20-6-3-5-12(20)11-21;/h12,21H,2-11H2,1H3;1H
InChIKeyVCFYUEOVAHHWMT-UHFFFAOYSA-N
XLogP1.04
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride (CID 3080132) is [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride is CCCc1nc(N2CCOCC2)nc(N2CCCC2CO)n1.Cl.
What is the InChIKey of [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is VCFYUEOVAHHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.ClH/c1-2-4-13-16-14(19-7-9-22-10-8-19)18-15(17-13)20-6-3-5-12(20)11-21;/h12,21H,2-11H2,1H3;1H.
What are the key properties of [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride?
[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 3080132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).