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

C15H20N6O — CID 53193649

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)c1cc(C3CC3)[nH]n1)C2
InChIInChI=1S/C15H20N6O/c1-9(2)14-19-18-13-8-20(5-6-21(13)14)15(22)12-7-11(16-17-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyJFCNVZZUVNFJCO-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.66
Rot. Bonds3

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

(5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53193649) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53193649
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)c1cc(C3CC3)[nH]n1)C2
InChIInChI=1S/C15H20N6O/c1-9(2)14-19-18-13-8-20(5-6-21(13)14)15(22)12-7-11(16-17-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyJFCNVZZUVNFJCO-UHFFFAOYSA-N
XLogP1.66
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53193649) is (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CC(C)c1nnc2n1CCN(C(=O)c1cc(C3CC3)[nH]n1)C2.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is JFCNVZZUVNFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9(2)14-19-18-13-8-20(5-6-21(13)14)15(22)12-7-11(16-17-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53193649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).