N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C13H17N7 — CID 106282202

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1nn(C)c2ncc(CNC(C)c3ncn[nH]3)cc12
InChIInChI=1S/C13H17N7/c1-8-11-4-10(6-15-13(11)20(3)19-8)5-14-9(2)12-16-7-17-18-12/h4,6-7,9,14H,5H2,1-3H3,(H,16,17,18)
InChIKeyOQGQSQQLXORQSG-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.25
Rot. Bonds4

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106282202) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106282202
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1nn(C)c2ncc(CNC(C)c3ncn[nH]3)cc12
InChIInChI=1S/C13H17N7/c1-8-11-4-10(6-15-13(11)20(3)19-8)5-14-9(2)12-16-7-17-18-12/h4,6-7,9,14H,5H2,1-3H3,(H,16,17,18)
InChIKeyOQGQSQQLXORQSG-UHFFFAOYSA-N
XLogP1.25
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106282202) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is Cc1nn(C)c2ncc(CNC(C)c3ncn[nH]3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is OQGQSQQLXORQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-8-11-4-10(6-15-13(11)20(3)19-8)5-14-9(2)12-16-7-17-18-12/h4,6-7,9,14H,5H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106282202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).