5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine

C13H18N6 — CID 146148936

IUPAC5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCc1cnc(C)c(N2CCCn3nc(N)cc3C2)n1
InChIInChI=1S/C13H18N6/c1-9-7-15-10(2)13(16-9)18-4-3-5-19-11(8-18)6-12(14)17-19/h6-7H,3-5,8H2,1-2H3,(H2,14,17)
InChIKeyPCWYCDHNYBDPII-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.28
Rot. Bonds1

About 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine

5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 146148936) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID146148936
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCc1cnc(C)c(N2CCCn3nc(N)cc3C2)n1
InChIInChI=1S/C13H18N6/c1-9-7-15-10(2)13(16-9)18-4-3-5-19-11(8-18)6-12(14)17-19/h6-7H,3-5,8H2,1-2H3,(H2,14,17)
InChIKeyPCWYCDHNYBDPII-UHFFFAOYSA-N
XLogP1.28
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine 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 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine (CID 146148936) is 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine is Cc1cnc(C)c(N2CCCn3nc(N)cc3C2)n1.
What is the InChIKey of 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is PCWYCDHNYBDPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-7-15-10(2)13(16-9)18-4-3-5-19-11(8-18)6-12(14)17-19/h6-7H,3-5,8H2,1-2H3,(H2,14,17).
What are the key properties of 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 146148936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).