4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid

C9H10N4O2 — CID 83882716

IUPAC4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid
SMILESO=C(O)CCCc1cnc2nnccn12
InChIInChI=1S/C9H10N4O2/c14-8(15)3-1-2-7-6-10-9-12-11-4-5-13(7)9/h4-6H,1-3H2,(H,14,15)
InChIKeyVJJPAHNWSLQHBP-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.53
Rot. Bonds4

About 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid

4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid (PubChem CID 83882716) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid.

Molecular Properties

Compound Name4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid
PubChem CID83882716
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid
SMILESO=C(O)CCCc1cnc2nnccn12
InChIInChI=1S/C9H10N4O2/c14-8(15)3-1-2-7-6-10-9-12-11-4-5-13(7)9/h4-6H,1-3H2,(H,14,15)
InChIKeyVJJPAHNWSLQHBP-UHFFFAOYSA-N
XLogP0.53
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-c][1,2,4]triazin-6-ylpropan-2-amine
CID 83874715
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propanoic acid
CID 83903481
4-(6-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 84740194
4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80662305
4-(3-tert-butylimidazol-4-yl)butanoic acid
CID 83885104
4-(1,3,4-oxadiazol-2-yl)butanoic acid
CID 39235436
3-(6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propanoic acid
CID 105494265
17-(triazol-1-yl)heptadecanoic acid
CID 69480410
3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82530345
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid?
The IUPAC name of 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid (CID 83882716) is 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid.
What is the SMILES notation for 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid?
The canonical SMILES for 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid is O=C(O)CCCc1cnc2nnccn12.
What is the InChIKey of 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid?
The InChIKey is VJJPAHNWSLQHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-8(15)3-1-2-7-6-10-9-12-11-4-5-13(7)9/h4-6H,1-3H2,(H,14,15).
What are the key properties of 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid?
4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid has a molecular weight of 206.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-c][1,2,4]triazin-6-ylbutanoic acid is sourced from PubChem (CID 83882716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).