N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine

C12H19N5 — CID 113446460

IUPACN-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc2c(NCCNC(C)C)nccn2n1
InChIInChI=1S/C12H19N5/c1-9(2)13-4-5-14-12-11-8-10(3)16-17(11)7-6-15-12/h6-9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUZEOZPVDWNFTBH-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.45
Rot. Bonds5

About N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine

N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 113446460) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID113446460
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc2c(NCCNC(C)C)nccn2n1
InChIInChI=1S/C12H19N5/c1-9(2)13-4-5-14-12-11-8-10(3)16-17(11)7-6-15-12/h6-9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUZEOZPVDWNFTBH-UHFFFAOYSA-N
XLogP1.45
TPSA54.25 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 ≤ 51.45
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-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine (CID 113446460) is N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine is Cc1cc2c(NCCNC(C)C)nccn2n1.
What is the InChIKey of N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is UZEOZPVDWNFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9(2)13-4-5-14-12-11-8-10(3)16-17(11)7-6-15-12/h6-9,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113446460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).