2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one

C10H15N5O — CID 10082230

IUPAC2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCCCCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C10H15N5O/c1-2-3-4-5-14-6-7-15-9(14)12-8(11)13-10(15)16/h6-7H,2-5H2,1H3,(H2,11,13,16)
InChIKeyMKLVWFIHWURRQA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 10082230) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID10082230
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCCCCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C10H15N5O/c1-2-3-4-5-14-6-7-15-9(14)12-8(11)13-10(15)16/h6-7H,2-5H2,1H3,(H2,11,13,16)
InChIKeyMKLVWFIHWURRQA-UHFFFAOYSA-N
XLogP0.66
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Lyozlazjdljdbn-uhfffaoysa-
CID 10263477
Cwpakppsuvqhbb-uhfffaoysa-
CID 10013741
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CID 57696538
2-Amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one
CID 58603063
2-Amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one
CID 58603065
2-Amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one
CID 58603085
2-Amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 58603094
2-Amino-8-(3-isocyanopropyl)imidazo[1,2-a][1,3,5]triazin-4-one
CID 58603096
2-Amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one
CID 58603113
4-(2-Amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)butanenitrile
CID 69639208

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one (CID 10082230) is 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one is CCCCCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is MKLVWFIHWURRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-3-4-5-14-6-7-15-9(14)12-8(11)13-10(15)16/h6-7H,2-5H2,1H3,(H2,11,13,16).
What are the key properties of 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-pentylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 10082230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).