N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine

C19H28N6O — CID 118776475

IUPACN-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
SMILESCC1(C)CC(CN2CCn3nc(CNc4cnccn4)cc3C2)CCO1
InChIInChI=1S/C19H28N6O/c1-19(2)10-15(3-8-26-19)13-24-6-7-25-17(14-24)9-16(23-25)11-22-18-12-20-4-5-21-18/h4-5,9,12,15H,3,6-8,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyXQHLTOBZSBNYGX-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds5

About N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine

N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine (PubChem CID 118776475) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
PubChem CID118776475
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
SMILESCC1(C)CC(CN2CCn3nc(CNc4cnccn4)cc3C2)CCO1
InChIInChI=1S/C19H28N6O/c1-19(2)10-15(3-8-26-19)13-24-6-7-25-17(14-24)9-16(23-25)11-22-18-12-20-4-5-21-18/h4-5,9,12,15H,3,6-8,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyXQHLTOBZSBNYGX-UHFFFAOYSA-N
XLogP2.31
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine (CID 118776475) is N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine is CC1(C)CC(CN2CCn3nc(CNc4cnccn4)cc3C2)CCO1.
What is the InChIKey of N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The InChIKey is XQHLTOBZSBNYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-19(2)10-15(3-8-26-19)13-24-6-7-25-17(14-24)9-16(23-25)11-22-18-12-20-4-5-21-18/h4-5,9,12,15H,3,6-8,10-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,2-dimethyloxan-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 118776475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).