3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

C19H30N8 — CID 91763489

IUPAC3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCN(c3nc(C)cnc3C)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C19H30N8/c1-4-27-17(23-24-19(27)15-9-16(20)10-15)12-25-5-7-26(8-6-25)18-14(3)21-11-13(2)22-18/h11,15-16H,4-10,12,20H2,1-3H3
InChIKeyGBKKPHNZOPARFL-UHFFFAOYSA-N
MW370.51 g/mol
LogP1.23
Rot. Bonds5

About 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91763489) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91763489
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCN(c3nc(C)cnc3C)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C19H30N8/c1-4-27-17(23-24-19(27)15-9-16(20)10-15)12-25-5-7-26(8-6-25)18-14(3)21-11-13(2)22-18/h11,15-16H,4-10,12,20H2,1-3H3
InChIKeyGBKKPHNZOPARFL-UHFFFAOYSA-N
XLogP1.23
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91763489) is 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN2CCN(c3nc(C)cnc3C)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is GBKKPHNZOPARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-4-27-17(23-24-19(27)15-9-16(20)10-15)12-25-5-7-26(8-6-25)18-14(3)21-11-13(2)22-18/h11,15-16H,4-10,12,20H2,1-3H3.
What are the key properties of 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 370.51 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91763489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).