N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine

C9H13N5O — CID 59096222

IUPACN,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine
SMILESC/N=C1\C(OC(C)C)=Nn2nc(C)nc21
InChIInChI=1S/C9H13N5O/c1-5(2)15-9-7(10-4)8-11-6(3)12-14(8)13-9/h5H,1-4H3/b10-7-
InChIKeyVTPQPTMDIBKSKA-YFHOEESVSA-N
MW207.24 g/mol
LogP0.61
Rot. Bonds1

About N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine

N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine (PubChem CID 59096222) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine.

Molecular Properties

Compound NameN,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine
PubChem CID59096222
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine
SMILESC/N=C1\C(OC(C)C)=Nn2nc(C)nc21
InChIInChI=1S/C9H13N5O/c1-5(2)15-9-7(10-4)8-11-6(3)12-14(8)13-9/h5H,1-4H3/b10-7-
InChIKeyVTPQPTMDIBKSKA-YFHOEESVSA-N
XLogP0.61
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine?
The IUPAC name of N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine (CID 59096222) is N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine.
What is the SMILES notation for N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine?
The canonical SMILES for N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine is C/N=C1\C(OC(C)C)=Nn2nc(C)nc21.
What is the InChIKey of N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine?
The InChIKey is VTPQPTMDIBKSKA-YFHOEESVSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(2)15-9-7(10-4)8-11-6(3)12-14(8)13-9/h5H,1-4H3/b10-7-.
What are the key properties of N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine?
N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine has a molecular weight of 207.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-propan-2-yloxypyrazolo[1,5-b][1,2,4]triazol-7-imine is sourced from PubChem (CID 59096222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).