(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C10H13N7O — CID 65355444

IUPAC(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCn1cc(N)c(C(=O)N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H13N7O/c1-15-4-7(11)9(14-15)10(18)16-2-3-17-6-12-13-8(17)5-16/h4,6H,2-3,5,11H2,1H3
InChIKeyFJRCTVGTZWUPLX-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.75
Rot. Bonds1

About (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 65355444) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID65355444
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCn1cc(N)c(C(=O)N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H13N7O/c1-15-4-7(11)9(14-15)10(18)16-2-3-17-6-12-13-8(17)5-16/h4,6H,2-3,5,11H2,1H3
InChIKeyFJRCTVGTZWUPLX-UHFFFAOYSA-N
XLogP-0.75
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 65355444) is (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cn1cc(N)c(C(=O)N2CCn3cnnc3C2)n1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is FJRCTVGTZWUPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O/c1-15-4-7(11)9(14-15)10(18)16-2-3-17-6-12-13-8(17)5-16/h4,6H,2-3,5,11H2,1H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 247.26 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 65355444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).