5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one

C10H12N6O — CID 104735171

IUPAC5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCN=[N+]=[N-])ccn2n1
InChIInChI=1S/C10H12N6O/c1-8-7-9-10(17)15(4-2-3-12-14-11)5-6-16(9)13-8/h5-7H,2-4H2,1H3
InChIKeyWXKUPHDMUFGWPH-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.50
Rot. Bonds4

About 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735171) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735171
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCN=[N+]=[N-])ccn2n1
InChIInChI=1S/C10H12N6O/c1-8-7-9-10(17)15(4-2-3-12-14-11)5-6-16(9)13-8/h5-7H,2-4H2,1H3
InChIKeyWXKUPHDMUFGWPH-UHFFFAOYSA-N
XLogP1.50
TPSA88.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734854
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735476
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 103350211
5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734509

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104735171) is 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CCCN=[N+]=[N-])ccn2n1.
What is the InChIKey of 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WXKUPHDMUFGWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-8-7-9-10(17)15(4-2-3-12-14-11)5-6-16(9)13-8/h5-7H,2-4H2,1H3.
What are the key properties of 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 232.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).