[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine

C11H21N5O — CID 114223509

IUPAC[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine
SMILESCCCn1nncc1N1CC(CN)OCC1C
InChIInChI=1S/C11H21N5O/c1-3-4-16-11(6-13-14-16)15-7-10(5-12)17-8-9(15)2/h6,9-10H,3-5,7-8,12H2,1-2H3
InChIKeyMVIFSUSHLZTSBJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.24
Rot. Bonds4

About [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine

[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine (PubChem CID 114223509) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine
PubChem CID114223509
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine
SMILESCCCn1nncc1N1CC(CN)OCC1C
InChIInChI=1S/C11H21N5O/c1-3-4-16-11(6-13-14-16)15-7-10(5-12)17-8-9(15)2/h6,9-10H,3-5,7-8,12H2,1-2H3
InChIKeyMVIFSUSHLZTSBJ-UHFFFAOYSA-N
XLogP0.24
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine (CID 114223509) is [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine is CCCn1nncc1N1CC(CN)OCC1C.
What is the InChIKey of [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine?
The InChIKey is MVIFSUSHLZTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-4-16-11(6-13-14-16)15-7-10(5-12)17-8-9(15)2/h6,9-10H,3-5,7-8,12H2,1-2H3.
What are the key properties of [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine?
[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114223509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).