2-amino-N-propyl-6-(triazol-1-yl)hexanamide

C11H21N5O — CID 123899484

IUPAC2-amino-N-propyl-6-(triazol-1-yl)hexanamide
SMILESCCCNC(=O)C(N)CCCCn1ccnn1
InChIInChI=1S/C11H21N5O/c1-2-6-13-11(17)10(12)5-3-4-8-16-9-7-14-15-16/h7,9-10H,2-6,8,12H2,1H3,(H,13,17)
InChIKeyCDWVFDSQBCBLGP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.30
Rot. Bonds8

About 2-amino-N-propyl-6-(triazol-1-yl)hexanamide

2-amino-N-propyl-6-(triazol-1-yl)hexanamide (PubChem CID 123899484) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-N-propyl-6-(triazol-1-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-propyl-6-(triazol-1-yl)hexanamide
PubChem CID123899484
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-amino-N-propyl-6-(triazol-1-yl)hexanamide
SMILESCCCNC(=O)C(N)CCCCn1ccnn1
InChIInChI=1S/C11H21N5O/c1-2-6-13-11(17)10(12)5-3-4-8-16-9-7-14-15-16/h7,9-10H,2-6,8,12H2,1H3,(H,13,17)
InChIKeyCDWVFDSQBCBLGP-UHFFFAOYSA-N
XLogP0.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propyl-6-(triazol-1-yl)hexanamide?
The IUPAC name of 2-amino-N-propyl-6-(triazol-1-yl)hexanamide (CID 123899484) is 2-amino-N-propyl-6-(triazol-1-yl)hexanamide.
What is the SMILES notation for 2-amino-N-propyl-6-(triazol-1-yl)hexanamide?
The canonical SMILES for 2-amino-N-propyl-6-(triazol-1-yl)hexanamide is CCCNC(=O)C(N)CCCCn1ccnn1.
What is the InChIKey of 2-amino-N-propyl-6-(triazol-1-yl)hexanamide?
The InChIKey is CDWVFDSQBCBLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-6-13-11(17)10(12)5-3-4-8-16-9-7-14-15-16/h7,9-10H,2-6,8,12H2,1H3,(H,13,17).
What are the key properties of 2-amino-N-propyl-6-(triazol-1-yl)hexanamide?
2-amino-N-propyl-6-(triazol-1-yl)hexanamide has a molecular weight of 239.32 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-6-(triazol-1-yl)hexanamide is sourced from PubChem (CID 123899484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).