3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C16H24N8 — CID 91788303

IUPAC3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCn1c(CN2CCN(c3cnccn3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C16H24N8/c1-22-15(20-21-16(22)12-8-13(17)9-12)11-23-4-6-24(7-5-23)14-10-18-2-3-19-14/h2-3,10,12-13H,4-9,11,17H2,1H3
InChIKeyBOWWTMFPNQBYOY-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.13
Rot. Bonds4

About 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91788303) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91788303
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCn1c(CN2CCN(c3cnccn3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C16H24N8/c1-22-15(20-21-16(22)12-8-13(17)9-12)11-23-4-6-24(7-5-23)14-10-18-2-3-19-14/h2-3,10,12-13H,4-9,11,17H2,1H3
InChIKeyBOWWTMFPNQBYOY-UHFFFAOYSA-N
XLogP0.13
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91788303) is 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is Cn1c(CN2CCN(c3cnccn3)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is BOWWTMFPNQBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8/c1-22-15(20-21-16(22)12-8-13(17)9-12)11-23-4-6-24(7-5-23)14-10-18-2-3-19-14/h2-3,10,12-13H,4-9,11,17H2,1H3.
What are the key properties of 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 328.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91788303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).