[1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone

C16H29N5O2 — CID 56868586

IUPAC[1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCCC1CN(C(=O)c2cn(CCCN)nn2)CCO1
InChIInChI=1S/C16H29N5O2/c1-13(2)5-3-6-14-11-20(9-10-23-14)16(22)15-12-21(19-18-15)8-4-7-17/h12-14H,3-11,17H2,1-2H3
InChIKeyGFXVSIZODWDKFL-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.29
Rot. Bonds8

About [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone

[1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 56868586) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID56868586
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name[1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCCC1CN(C(=O)c2cn(CCCN)nn2)CCO1
InChIInChI=1S/C16H29N5O2/c1-13(2)5-3-6-14-11-20(9-10-23-14)16(22)15-12-21(19-18-15)8-4-7-17/h12-14H,3-11,17H2,1-2H3
InChIKeyGFXVSIZODWDKFL-UHFFFAOYSA-N
XLogP1.29
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 56868586) is [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone is CC(C)CCCC1CN(C(=O)c2cn(CCCN)nn2)CCO1.
What is the InChIKey of [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is GFXVSIZODWDKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-13(2)5-3-6-14-11-20(9-10-23-14)16(22)15-12-21(19-18-15)8-4-7-17/h12-14H,3-11,17H2,1-2H3.
What are the key properties of [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
[1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56868586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).