1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C14H27N5O2 — CID 111916449

IUPAC1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCCn1c(C)nnc1CN(C)CC(O)CN1CCOCC1
InChIInChI=1S/C14H27N5O2/c1-4-19-12(2)15-16-14(19)11-17(3)9-13(20)10-18-5-7-21-8-6-18/h13,20H,4-11H2,1-3H3
InChIKeyYCBRSYAODFRTJX-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.27
Rot. Bonds7

About 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916449) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916449
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCCn1c(C)nnc1CN(C)CC(O)CN1CCOCC1
InChIInChI=1S/C14H27N5O2/c1-4-19-12(2)15-16-14(19)11-17(3)9-13(20)10-18-5-7-21-8-6-18/h13,20H,4-11H2,1-3H3
InChIKeyYCBRSYAODFRTJX-UHFFFAOYSA-N
XLogP-0.27
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916389
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111916449) is 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CCn1c(C)nnc1CN(C)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is YCBRSYAODFRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-4-19-12(2)15-16-14(19)11-17(3)9-13(20)10-18-5-7-21-8-6-18/h13,20H,4-11H2,1-3H3.
What are the key properties of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of -0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).