1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine

C10H13N3 — CID 96590803

IUPAC1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine
SMILESCc1cc(C)c2c(N)cn(C)c2n1
InChIInChI=1S/C10H13N3/c1-6-4-7(2)12-10-9(6)8(11)5-13(10)3/h4-5H,11H2,1-3H3
InChIKeyPTZWIUWFKTVZIL-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.77
Rot. Bonds

About 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine

1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine (PubChem CID 96590803) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine
PubChem CID96590803
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine
SMILESCc1cc(C)c2c(N)cn(C)c2n1
InChIInChI=1S/C10H13N3/c1-6-4-7(2)12-10-9(6)8(11)5-13(10)3/h4-5H,11H2,1-3H3
InChIKeyPTZWIUWFKTVZIL-UHFFFAOYSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,6-tetramethylpyrazolo[5,4-b]pyridine
CID 2264673
4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine
CID 71090276
4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375483
1-(4-bromo-2,6-dimethylphenyl)-3,6-dimethylpyrrolo[2,3-b]pyridin-4-amine
CID 58281281
2,4,5-trimethylquinolin-8-amine
CID 21388015
5-amino-2,4,7,9-tetramethylpyrimido[4,5-h][1,6]naphthyridine-8,10-dione
CID 46872676
ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine
CID 169106736
2,4,9-trimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 22896641
1,4-dimethylindol-3-amine
CID 89174209
6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 82395234
3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine
CID 157096750
2,4,6-trimethylquinolin-8-amine
CID 21388016

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine (CID 96590803) is 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine is Cc1cc(C)c2c(N)cn(C)c2n1.
What is the InChIKey of 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is PTZWIUWFKTVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6-4-7(2)12-10-9(6)8(11)5-13(10)3/h4-5H,11H2,1-3H3.
What are the key properties of 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine?
1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 96590803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).