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

C14H18N6O — CID 110244587

IUPAC(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCn3c(nnc3C3CC3)C2)cn1
InChIInChI=1S/C14H18N6O/c1-2-19-8-11(7-15-19)14(21)18-5-6-20-12(9-18)16-17-13(20)10-3-4-10/h7-8,10H,2-6,9H2,1H3
InChIKeyVVMWVJQQOMIYPH-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.03
Rot. Bonds3

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

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 110244587) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID110244587
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCn3c(nnc3C3CC3)C2)cn1
InChIInChI=1S/C14H18N6O/c1-2-19-8-11(7-15-19)14(21)18-5-6-20-12(9-18)16-17-13(20)10-3-4-10/h7-8,10H,2-6,9H2,1H3
InChIKeyVVMWVJQQOMIYPH-UHFFFAOYSA-N
XLogP1.03
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone (CID 110244587) is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CCn3c(nnc3C3CC3)C2)cn1.
What is the InChIKey of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is VVMWVJQQOMIYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-2-19-8-11(7-15-19)14(21)18-5-6-20-12(9-18)16-17-13(20)10-3-4-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone?
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 110244587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).