2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane

C16H23N7O — CID 154788198

IUPAC2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane
SMILESCOc1nccnc1CN1CC2(CN(C)CC2c2n[nH]c(C)n2)C1
InChIInChI=1S/C16H23N7O/c1-11-19-14(21-20-11)12-6-22(2)8-16(12)9-23(10-16)7-13-15(24-3)18-5-4-17-13/h4-5,12H,6-10H2,1-3H3,(H,19,20,21)
InChIKeyMJCBMWPNHDICDB-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.44
Rot. Bonds4

About 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane

2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 154788198) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane
PubChem CID154788198
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane
SMILESCOc1nccnc1CN1CC2(CN(C)CC2c2n[nH]c(C)n2)C1
InChIInChI=1S/C16H23N7O/c1-11-19-14(21-20-11)12-6-22(2)8-16(12)9-23(10-16)7-13-15(24-3)18-5-4-17-13/h4-5,12H,6-10H2,1-3H3,(H,19,20,21)
InChIKeyMJCBMWPNHDICDB-UHFFFAOYSA-N
XLogP0.44
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane 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-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane (CID 154788198) is 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane is COc1nccnc1CN1CC2(CN(C)CC2c2n[nH]c(C)n2)C1.
What is the InChIKey of 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is MJCBMWPNHDICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11-19-14(21-20-11)12-6-22(2)8-16(12)9-23(10-16)7-13-15(24-3)18-5-4-17-13/h4-5,12H,6-10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane?
2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 329.41 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrazin-2-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 154788198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).