(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate

C12H16N4O2 — CID 2819112

IUPAC(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C
InChIInChI=1S/C12H16N4O2/c1-7-6-9(18-12(17)15(3)4)13-11-10(7)8(2)14-16(11)5/h6H,1-5H3
InChIKeyUAGCNZUMQLKOQO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.65
Rot. Bonds1

About (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate

(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate (PubChem CID 2819112) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
PubChem CID2819112
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C
InChIInChI=1S/C12H16N4O2/c1-7-6-9(18-12(17)15(3)4)13-11-10(7)8(2)14-16(11)5/h6H,1-5H3
InChIKeyUAGCNZUMQLKOQO-UHFFFAOYSA-N
XLogP1.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
The IUPAC name of (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate (CID 2819112) is (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C.
What is the InChIKey of (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
The InChIKey is UAGCNZUMQLKOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-6-9(18-12(17)15(3)4)13-11-10(7)8(2)14-16(11)5/h6H,1-5H3.
What are the key properties of (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate has a molecular weight of 248.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 2819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).