2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride

C13H24ClN5O2 — CID 3073350

IUPAC2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
SMILESCCCc1nc(NC2CC2)nc(N(CCO)CCO)n1.Cl
InChIInChI=1S/C13H23N5O2.ClH/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20;/h10,19-20H,2-9H2,1H3,(H,14,15,16,17);1H
InChIKeyIHKVDLHYBHYIRW-UHFFFAOYSA-N
MW317.82 g/mol
LogP0.61
Rot. Bonds9

About 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride

2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride (PubChem CID 3073350) has the molecular formula C13H24ClN5O2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
PubChem CID3073350
Molecular FormulaC13H24ClN5O2
Molecular Weight317.82 g/mol
Exact Mass317.16
IUPAC Name2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
SMILESCCCc1nc(NC2CC2)nc(N(CCO)CCO)n1.Cl
InChIInChI=1S/C13H23N5O2.ClH/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20;/h10,19-20H,2-9H2,1H3,(H,14,15,16,17);1H
InChIKeyIHKVDLHYBHYIRW-UHFFFAOYSA-N
XLogP0.61
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride with MolForge

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Related Compounds

2-(4-Morpholino-6-propyl-1,3,5-triazin-2-yl)aminoethanol
CID 130928
N-Cyclopropyl-6-(morpholin-4-yl)-4-propyl-1,3,5-triazin-2(1H)-imine
CID 192460
1,3,5-Triazin-2-amine, N-cyclopropyl-4-ethyl-6-(4-morpholinyl)-, monohydrochloride
CID 3073346
Ethanol, 2,2'-((4-(cyclopropyl-6-(cyclorpopylamino)-1,3,5-triazin-2-yl)imino)bis-
CID 3073368
3-Azetidinol, 1-(4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)-
CID 3073371
1-Butanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080122
Ucb 29120
CID 192459
N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3073347
2-[[4-(Cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 3073351
2-[[4-Methyl-6-[3-(methylamino)propylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 18724880
2-[[4-Methyl-6-[2-[2-(methylamino)ethoxy]ethyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 20778491
2-[[4-Methyl-6-[2-(methylamino)ethyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 20778493

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride (CID 3073350) is 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride is CCCc1nc(NC2CC2)nc(N(CCO)CCO)n1.Cl.
What is the InChIKey of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride?
The InChIKey is IHKVDLHYBHYIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2.ClH/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20;/h10,19-20H,2-9H2,1H3,(H,14,15,16,17);1H.
What are the key properties of 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride?
2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 3073350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).