1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one

C14H15N5O — CID 167744833

IUPAC1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1CC1CCc2ncnn21
InChIInChI=1S/C14H15N5O/c1-17-14(20)11-4-2-3-5-12(11)18(17)8-10-6-7-13-15-9-16-19(10)13/h2-5,9-10H,6-8H2,1H3
InChIKeyPBNJZCYXNNOULF-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.12
Rot. Bonds2

About 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one

1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one (PubChem CID 167744833) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one
PubChem CID167744833
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1CC1CCc2ncnn21
InChIInChI=1S/C14H15N5O/c1-17-14(20)11-4-2-3-5-12(11)18(17)8-10-6-7-13-15-9-16-19(10)13/h2-5,9-10H,6-8H2,1H3
InChIKeyPBNJZCYXNNOULF-UHFFFAOYSA-N
XLogP1.12
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-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 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one (CID 167744833) is 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one is Cn1c(=O)c2ccccc2n1CC1CCc2ncnn21.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one?
The InChIKey is PBNJZCYXNNOULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-17-14(20)11-4-2-3-5-12(11)18(17)8-10-6-7-13-15-9-16-19(10)13/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one?
1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one has a molecular weight of 269.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one is sourced from PubChem (CID 167744833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).