2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C18H21N7O3 — CID 137049822

IUPAC2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(C3COC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C18H21N7O3/c1-12-14(17(27)23-7-5-22(6-8-23)13-10-28-11-13)9-19-25(12)18-20-16(26)15-3-2-4-24(15)21-18/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21,26)
InChIKeyUTKSXTXQCHZYSH-UHFFFAOYSA-N
MW383.41 g/mol
LogP-0.33
Rot. Bonds3

About 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049822) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049822
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(C3COC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C18H21N7O3/c1-12-14(17(27)23-7-5-22(6-8-23)13-10-28-11-13)9-19-25(12)18-20-16(26)15-3-2-4-24(15)21-18/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21,26)
InChIKeyUTKSXTXQCHZYSH-UHFFFAOYSA-N
XLogP-0.33
TPSA100.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one 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 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049822) is 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCN(C3COC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is UTKSXTXQCHZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-12-14(17(27)23-7-5-22(6-8-23)13-10-28-11-13)9-19-25(12)18-20-16(26)15-3-2-4-24(15)21-18/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21,26).
What are the key properties of 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 383.41 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).