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

C12H19N5 — CID 113446473

IUPAC4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1nccn2nccc12
InChIInChI=1S/C12H19N5/c1-9(2)7-10(8-13)16-12-11-3-4-15-17(11)6-5-14-12/h3-6,9-10H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyXONHNYYTLSYADB-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.51
Rot. Bonds5

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

4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine (PubChem CID 113446473) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
PubChem CID113446473
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1nccn2nccc12
InChIInChI=1S/C12H19N5/c1-9(2)7-10(8-13)16-12-11-3-4-15-17(11)6-5-14-12/h3-6,9-10H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyXONHNYYTLSYADB-UHFFFAOYSA-N
XLogP1.51
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine?
The IUPAC name of 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine (CID 113446473) is 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine is CC(C)CC(CN)Nc1nccn2nccc12.
What is the InChIKey of 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine?
The InChIKey is XONHNYYTLSYADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9(2)7-10(8-13)16-12-11-3-4-15-17(11)6-5-14-12/h3-6,9-10H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine?
4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine is sourced from PubChem (CID 113446473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).