2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine

C9H13N5 — CID 82403359

IUPAC2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine
SMILESCC(C)C(N)c1[nH]nc2nccnc12
InChIInChI=1S/C9H13N5/c1-5(2)6(10)7-8-9(14-13-7)12-4-3-11-8/h3-6H,10H2,1-2H3,(H,12,13,14)
InChIKeyCSGIMMSFSJLKLM-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine

2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine (PubChem CID 82403359) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine
PubChem CID82403359
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine
SMILESCC(C)C(N)c1[nH]nc2nccnc12
InChIInChI=1S/C9H13N5/c1-5(2)6(10)7-8-9(14-13-7)12-4-3-11-8/h3-6H,10H2,1-2H3,(H,12,13,14)
InChIKeyCSGIMMSFSJLKLM-UHFFFAOYSA-N
XLogP1.01
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine (CID 82403359) is 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine is CC(C)C(N)c1[nH]nc2nccnc12.
What is the InChIKey of 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine?
The InChIKey is CSGIMMSFSJLKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-5(2)6(10)7-8-9(14-13-7)12-4-3-11-8/h3-6H,10H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine?
2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine has a molecular weight of 191.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-pyrazolo[3,4-b]pyrazin-3-yl)propan-1-amine is sourced from PubChem (CID 82403359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).