N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine

C9H13N5 — CID 104732428

IUPACN-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
SMILESCNCCNc1nccn2nccc12
InChIInChI=1S/C9H13N5/c1-10-4-5-11-9-8-2-3-13-14(8)7-6-12-9/h2-3,6-7,10H,4-5H2,1H3,(H,11,12)
InChIKeyGXCFAUWTYIKGIM-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.36
Rot. Bonds4

About N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine

N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine (PubChem CID 104732428) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
PubChem CID104732428
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
SMILESCNCCNc1nccn2nccc12
InChIInChI=1S/C9H13N5/c1-10-4-5-11-9-8-2-3-13-14(8)7-6-12-9/h2-3,6-7,10H,4-5H2,1H3,(H,11,12)
InChIKeyGXCFAUWTYIKGIM-UHFFFAOYSA-N
XLogP0.36
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine (CID 104732428) is N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine is CNCCNc1nccn2nccc12.
What is the InChIKey of N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine?
The InChIKey is GXCFAUWTYIKGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-10-4-5-11-9-8-2-3-13-14(8)7-6-12-9/h2-3,6-7,10H,4-5H2,1H3,(H,11,12).
What are the key properties of N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine?
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine has a molecular weight of 191.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine is sourced from PubChem (CID 104732428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).