N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C15H23N5O2 — CID 9550722

IUPACN-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCN(CC)CCCNC(=O)CN1C(=O)C2=CC=CN2C=N1
InChIInChI=1S/C15H23N5O2/c1-3-18(4-2)9-6-8-16-14(21)11-20-15(22)13-7-5-10-19(13)12-17-20/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,16,21)
InChIKeyAUABABGHDVXRNT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.90
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 9550722) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID9550722
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCN(CC)CCCNC(=O)CN1C(=O)C2=CC=CN2C=N1
InChIInChI=1S/C15H23N5O2/c1-3-18(4-2)9-6-8-16-14(21)11-20-15(22)13-7-5-10-19(13)12-17-20/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,16,21)
InChIKeyAUABABGHDVXRNT-UHFFFAOYSA-N
XLogP0.90
TPSA69.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity422

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 9550722) is N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CCN(CC)CCCNC(=O)CN1C(=O)C2=CC=CN2C=N1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is AUABABGHDVXRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-18(4-2)9-6-8-16-14(21)11-20-15(22)13-7-5-10-19(13)12-17-20/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,16,21).
What are the key properties of N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 9550722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).