N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine

C16H22N7+ — CID 123700537

IUPACN-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1c2cc(-c3cncc(NCCN(C)C)n3)cnc2[nH][n+]1C
InChIInChI=1S/C16H21N7/c1-11-13-7-12(8-19-16(13)21-23(11)4)14-9-17-10-15(20-14)18-5-6-22(2)3/h7-10H,5-6H2,1-4H3,(H,18,20)/p+1
InChIKeyHDIAIVCSXYAVCV-UHFFFAOYSA-O
MW312.40 g/mol
LogP1.13
Rot. Bonds5

About N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 123700537) has the molecular formula C16H22N7+ and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID123700537
Molecular FormulaC16H22N7+
Molecular Weight312.40 g/mol
Exact Mass312.19
IUPAC NameN-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1c2cc(-c3cncc(NCCN(C)C)n3)cnc2[nH][n+]1C
InChIInChI=1S/C16H21N7/c1-11-13-7-12(8-19-16(13)21-23(11)4)14-9-17-10-15(20-14)18-5-6-22(2)3/h7-10H,5-6H2,1-4H3,(H,18,20)/p+1
InChIKeyHDIAIVCSXYAVCV-UHFFFAOYSA-O
XLogP1.13
TPSA73.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 123700537) is N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine is Cc1c2cc(-c3cncc(NCCN(C)C)n3)cnc2[nH][n+]1C.
What is the InChIKey of N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HDIAIVCSXYAVCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N7/c1-11-13-7-12(8-19-16(13)21-23(11)4)14-9-17-10-15(20-14)18-5-6-22(2)3/h7-10H,5-6H2,1-4H3,(H,18,20)/p+1.
What are the key properties of N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 312.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 123700537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).