(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone

C12H15N5O — CID 79806177

IUPAC(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1cn[nH]n1)C2C
InChIInChI=1S/C12H15N5O/c1-8-3-4-11-9(2)17(6-5-16(8)11)12(18)10-7-13-15-14-10/h3-4,7,9H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyISSWLABBMDFTNA-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.13
Rot. Bonds1

About (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone

(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone (PubChem CID 79806177) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
PubChem CID79806177
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1cn[nH]n1)C2C
InChIInChI=1S/C12H15N5O/c1-8-3-4-11-9(2)17(6-5-16(8)11)12(18)10-7-13-15-14-10/h3-4,7,9H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyISSWLABBMDFTNA-UHFFFAOYSA-N
XLogP1.13
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-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 (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone (CID 79806177) is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone is Cc1ccc2n1CCN(C(=O)c1cn[nH]n1)C2C.
What is the InChIKey of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is ISSWLABBMDFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-3-4-11-9(2)17(6-5-16(8)11)12(18)10-7-13-15-14-10/h3-4,7,9H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone?
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 245.29 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 79806177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).