2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine

C16H25N7 — CID 91835484

IUPAC2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3nncn3C(C)C)CC2)n1
InChIInChI=1S/C16H25N7/c1-12(2)23-11-18-20-15(23)10-21-5-7-22(8-6-21)16-14(4)17-9-13(3)19-16/h9,11-12H,5-8,10H2,1-4H3
InChIKeyVREFDDDTVVUOJG-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.59
Rot. Bonds4

About 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 91835484) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID91835484
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3nncn3C(C)C)CC2)n1
InChIInChI=1S/C16H25N7/c1-12(2)23-11-18-20-15(23)10-21-5-7-22(8-6-21)16-14(4)17-9-13(3)19-16/h9,11-12H,5-8,10H2,1-4H3
InChIKeyVREFDDDTVVUOJG-UHFFFAOYSA-N
XLogP1.59
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine (CID 91835484) is 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(Cc3nncn3C(C)C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is VREFDDDTVVUOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-12(2)23-11-18-20-15(23)10-21-5-7-22(8-6-21)16-14(4)17-9-13(3)19-16/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 315.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 91835484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).