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

C15H22N6 — CID 131651973

IUPACN-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
SMILESCCN(CC)CC1CN(c2ncccn2)Cc2ccnn21
InChIInChI=1S/C15H22N6/c1-3-19(4-2)10-14-12-20(15-16-7-5-8-17-15)11-13-6-9-18-21(13)14/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyNYQNUOABWBXNBK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.58
Rot. Bonds5

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

N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine (PubChem CID 131651973) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
PubChem CID131651973
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
SMILESCCN(CC)CC1CN(c2ncccn2)Cc2ccnn21
InChIInChI=1S/C15H22N6/c1-3-19(4-2)10-14-12-20(15-16-7-5-8-17-15)11-13-6-9-18-21(13)14/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyNYQNUOABWBXNBK-UHFFFAOYSA-N
XLogP1.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine (CID 131651973) is N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine is CCN(CC)CC1CN(c2ncccn2)Cc2ccnn21.
What is the InChIKey of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
The InChIKey is NYQNUOABWBXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-19(4-2)10-14-12-20(15-16-7-5-8-17-15)11-13-6-9-18-21(13)14/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine is sourced from PubChem (CID 131651973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).