N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C14H18N8O — CID 42240071

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCn1cc(CCNc2nc3nonc3nc2N2CCCC2)cn1
InChIInChI=1S/C14H18N8O/c1-21-9-10(8-16-21)4-5-15-13-14(22-6-2-3-7-22)18-12-11(17-13)19-23-20-12/h8-9H,2-7H2,1H3,(H,15,17,19)
InChIKeyQUWVVLZWMSJSLW-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.00
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 42240071) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID42240071
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCn1cc(CCNc2nc3nonc3nc2N2CCCC2)cn1
InChIInChI=1S/C14H18N8O/c1-21-9-10(8-16-21)4-5-15-13-14(22-6-2-3-7-22)18-12-11(17-13)19-23-20-12/h8-9H,2-7H2,1H3,(H,15,17,19)
InChIKeyQUWVVLZWMSJSLW-UHFFFAOYSA-N
XLogP1.00
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 42240071) is N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Cn1cc(CCNc2nc3nonc3nc2N2CCCC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is QUWVVLZWMSJSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c1-21-9-10(8-16-21)4-5-15-13-14(22-6-2-3-7-22)18-12-11(17-13)19-23-20-12/h8-9H,2-7H2,1H3,(H,15,17,19).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 314.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 42240071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).