2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C17H18N6O2 — CID 137049267

IUPAC2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC2(CC1)CC2
InChIInChI=1S/C17H18N6O2/c24-14-13-2-1-7-22(13)20-16(19-14)23-11-12(10-18-23)15(25)21-8-5-17(3-4-17)6-9-21/h1-2,7,10-11H,3-6,8-9H2,(H,19,20,24)
InChIKeyNOGJLJRPBPSZKZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.22
Rot. Bonds2

About 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049267) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049267
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC2(CC1)CC2
InChIInChI=1S/C17H18N6O2/c24-14-13-2-1-7-22(13)20-16(19-14)23-11-12(10-18-23)15(25)21-8-5-17(3-4-17)6-9-21/h1-2,7,10-11H,3-6,8-9H2,(H,19,20,24)
InChIKeyNOGJLJRPBPSZKZ-UHFFFAOYSA-N
XLogP1.22
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 137049058
CID 137049058
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxamide
CID 9974591
N-[[6-(1,5-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 90013255
N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621278
4-ethyl-1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049021
tert-butyl 2-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 137049022
2-[4-(6-azaspiro[2.5]octane-6-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049031
2-[4-(6,6-difluoro-2-azaspiro[3.3]heptane-2-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049057
2-[4-(2-azaspiro[3.4]octane-2-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049059
tert-butyl N-methyl-N-[1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]azetidin-3-yl]carbamate
CID 137049065
2-[4-(5-azaspiro[2.5]octane-5-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049066
2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049067

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049267) is 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC2(CC1)CC2.
What is the InChIKey of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NOGJLJRPBPSZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-14-13-2-1-7-22(13)20-16(19-14)23-11-12(10-18-23)15(25)21-8-5-17(3-4-17)6-9-21/h1-2,7,10-11H,3-6,8-9H2,(H,19,20,24).
What are the key properties of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 338.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).