2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine

C12H23N5O — CID 114202399

IUPAC2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C12H23N5O/c1-10(2)12(13)11-9-17(15-14-11)4-3-16-5-7-18-8-6-16/h9-10,12H,3-8,13H2,1-2H3
InChIKeyKHHHLSUCYGCTDS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.27
Rot. Bonds5

About 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine

2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine (PubChem CID 114202399) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine
PubChem CID114202399
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C12H23N5O/c1-10(2)12(13)11-9-17(15-14-11)4-3-16-5-7-18-8-6-16/h9-10,12H,3-8,13H2,1-2H3
InChIKeyKHHHLSUCYGCTDS-UHFFFAOYSA-N
XLogP0.27
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 114202379
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]ethanamine
CID 115084712
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine
CID 72858911
1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103247086
4-[(1-ethyltriazol-4-yl)methyl]morpholine
CID 171649254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine (CID 114202399) is 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine is CC(C)C(N)c1cn(CCN2CCOCC2)nn1.
What is the InChIKey of 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine?
The InChIKey is KHHHLSUCYGCTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-10(2)12(13)11-9-17(15-14-11)4-3-16-5-7-18-8-6-16/h9-10,12H,3-8,13H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine?
2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114202399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).