[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone

C16H19N7O2 — CID 56891080

IUPAC[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCN(Cc1ccoc1)Cc1cc2n(n1)CCN(C(=O)c1ncn[nH]1)C2
InChIInChI=1S/C16H19N7O2/c1-21(7-12-2-5-25-10-12)8-13-6-14-9-22(3-4-23(14)20-13)16(24)15-17-11-18-19-15/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,18,19)
InChIKeyOGWTUACXPHRQGZ-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.88
Rot. Bonds5

About [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone

[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 56891080) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID56891080
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCN(Cc1ccoc1)Cc1cc2n(n1)CCN(C(=O)c1ncn[nH]1)C2
InChIInChI=1S/C16H19N7O2/c1-21(7-12-2-5-25-10-12)8-13-6-14-9-22(3-4-23(14)20-13)16(24)15-17-11-18-19-15/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,18,19)
InChIKeyOGWTUACXPHRQGZ-UHFFFAOYSA-N
XLogP0.88
TPSA96.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 56891080) is [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone is CN(Cc1ccoc1)Cc1cc2n(n1)CCN(C(=O)c1ncn[nH]1)C2.
What is the InChIKey of [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is OGWTUACXPHRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-21(7-12-2-5-25-10-12)8-13-6-14-9-22(3-4-23(14)20-13)16(24)15-17-11-18-19-15/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,18,19).
What are the key properties of [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 341.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 56891080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).