3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine

C16H24N6O — CID 163351035

IUPAC3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3nnc(C)n3C)CC2)n1
InChIInChI=1S/C16H24N6O/c1-11-9-17-12(2)16(18-11)23-14-5-7-22(8-6-14)10-15-20-19-13(3)21(15)4/h9,14H,5-8,10H2,1-4H3
InChIKeyZPWHZAQKTWQVGI-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.57
Rot. Bonds4

About 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine

3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163351035) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163351035
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3nnc(C)n3C)CC2)n1
InChIInChI=1S/C16H24N6O/c1-11-9-17-12(2)16(18-11)23-14-5-7-22(8-6-14)10-15-20-19-13(3)21(15)4/h9,14H,5-8,10H2,1-4H3
InChIKeyZPWHZAQKTWQVGI-UHFFFAOYSA-N
XLogP1.57
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163351035) is 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine is Cc1cnc(C)c(OC2CCN(Cc3nnc(C)n3C)CC2)n1.
What is the InChIKey of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is ZPWHZAQKTWQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-9-17-12(2)16(18-11)23-14-5-7-22(8-6-14)10-15-20-19-13(3)21(15)4/h9,14H,5-8,10H2,1-4H3.
What are the key properties of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 316.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163351035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).