N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H13N7O — CID 100658319

IUPACN-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccn2c(CCCNc3ncnc4oncc34)nnc2c1
InChIInChI=1S/C14H13N7O/c1-2-7-21-11(4-1)19-20-12(21)5-3-6-15-13-10-8-18-22-14(10)17-9-16-13/h1-2,4,7-9H,3,5-6H2,(H,15,16,17)
InChIKeyQSMMJCSVSRIUPG-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.71
Rot. Bonds5

About N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 100658319) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID100658319
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC NameN-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccn2c(CCCNc3ncnc4oncc34)nnc2c1
InChIInChI=1S/C14H13N7O/c1-2-7-21-11(4-1)19-20-12(21)5-3-6-15-13-10-8-18-22-14(10)17-9-16-13/h1-2,4,7-9H,3,5-6H2,(H,15,16,17)
InChIKeyQSMMJCSVSRIUPG-UHFFFAOYSA-N
XLogP1.71
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methoxy-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328104
1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 32856424
6-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56896710
N-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56915191
3-methyl-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]isoxazolo[5,4-d]pyrimidin-4-amine
CID 72924979
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)isoxazolo[5,4-d]pyrimidin-4-amine
CID 72925691
N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 95813246
N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)pyridin-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063098
N-(1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)pyridin-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063104
N-pyridin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526228
N-pyridin-2-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526321
N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526583

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 100658319) is N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is c1ccn2c(CCCNc3ncnc4oncc34)nnc2c1.
What is the InChIKey of N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QSMMJCSVSRIUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-2-7-21-11(4-1)19-20-12(21)5-3-6-15-13-10-8-18-22-14(10)17-9-16-13/h1-2,4,7-9H,3,5-6H2,(H,15,16,17).
What are the key properties of N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 100658319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).