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

C18H19N5O2 — CID 16668671

IUPAC(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCn4c(nnc4C4CC4)C3)[nH]c2c1
InChIInChI=1S/C18H19N5O2/c1-25-13-5-4-12-8-15(19-14(12)9-13)18(24)22-6-7-23-16(10-22)20-21-17(23)11-2-3-11/h4-5,8-9,11,19H,2-3,6-7,10H2,1H3
InChIKeyHQNDBRJBRGMJGS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.30
Rot. Bonds3

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

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 16668671) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID16668671
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCn4c(nnc4C4CC4)C3)[nH]c2c1
InChIInChI=1S/C18H19N5O2/c1-25-13-5-4-12-8-15(19-14(12)9-13)18(24)22-6-7-23-16(10-22)20-21-17(23)11-2-3-11/h4-5,8-9,11,19H,2-3,6-7,10H2,1H3
InChIKeyHQNDBRJBRGMJGS-UHFFFAOYSA-N
XLogP2.30
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-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)-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone (CID 16668671) is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCn4c(nnc4C4CC4)C3)[nH]c2c1.
What is the InChIKey of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is HQNDBRJBRGMJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-13-5-4-12-8-15(19-14(12)9-13)18(24)22-6-7-23-16(10-22)20-21-17(23)11-2-3-11/h4-5,8-9,11,19H,2-3,6-7,10H2,1H3.
What are the key properties of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone?
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 16668671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).