tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate

C18H24N8O2 — CID 118456699

IUPACtert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
SMILESCn1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)C3)cn3ncnc23)cn1
InChIInChI=1S/C18H24N8O2/c1-18(2,3)28-17(27)25-6-5-12(8-25)14-10-26-16(19-11-21-26)15(23-14)22-13-7-20-24(4)9-13/h7,9-12H,5-6,8H2,1-4H3,(H,22,23)
InChIKeyNUSWXDXEBUEWDU-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate

tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate (PubChem CID 118456699) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
PubChem CID118456699
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Nametert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
SMILESCn1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)C3)cn3ncnc23)cn1
InChIInChI=1S/C18H24N8O2/c1-18(2,3)28-17(27)25-6-5-12(8-25)14-10-26-16(19-11-21-26)15(23-14)22-13-7-20-24(4)9-13/h7,9-12H,5-6,8H2,1-4H3,(H,22,23)
InChIKeyNUSWXDXEBUEWDU-UHFFFAOYSA-N
XLogP2.33
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(4-methylcyclohexyl)-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 118467059
1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 118466937
tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 67464003
tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 159356383
tert-butyl 3-[8-[(6-methoxypyridazin-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 118466959
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl (3R)-3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 118466874
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl (3R)-3-[[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 156807329
6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride
CID 138596711
tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxylate
CID 168797719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate (CID 118456699) is tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate is Cn1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)C3)cn3ncnc23)cn1.
What is the InChIKey of tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate?
The InChIKey is NUSWXDXEBUEWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-18(2,3)28-17(27)25-6-5-12(8-25)14-10-26-16(19-11-21-26)15(23-14)22-13-7-20-24(4)9-13/h7,9-12H,5-6,8H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate?
tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118456699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).