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

C17H22N8 — CID 118793471

IUPACN-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
SMILESCCn1ccnc1CN1CCn2nc(CNc3cnccn3)cc2C1
InChIInChI=1S/C17H22N8/c1-2-24-6-5-20-17(24)13-23-7-8-25-15(12-23)9-14(22-25)10-21-16-11-18-3-4-19-16/h3-6,9,11H,2,7-8,10,12-13H2,1H3,(H,19,21)
InChIKeyMCXQVVZDDSZMKX-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.52
Rot. Bonds6

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

N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine (PubChem CID 118793471) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
PubChem CID118793471
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
SMILESCCn1ccnc1CN1CCn2nc(CNc3cnccn3)cc2C1
InChIInChI=1S/C17H22N8/c1-2-24-6-5-20-17(24)13-23-7-8-25-15(12-23)9-14(22-25)10-21-16-11-18-3-4-19-16/h3-6,9,11H,2,7-8,10,12-13H2,1H3,(H,19,21)
InChIKeyMCXQVVZDDSZMKX-UHFFFAOYSA-N
XLogP1.52
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine (CID 118793471) is N-[[5-[(1-ethylimidazol-2-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-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine is CCn1ccnc1CN1CCn2nc(CNc3cnccn3)cc2C1.
What is the InChIKey of N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The InChIKey is MCXQVVZDDSZMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-2-24-6-5-20-17(24)13-23-7-8-25-15(12-23)9-14(22-25)10-21-16-11-18-3-4-19-16/h3-6,9,11H,2,7-8,10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 118793471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).