3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C18H33N7O — CID 91792047

IUPAC3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCn1c(CN2CCN(CCN3CCOCC3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C18H33N7O/c1-22-17(20-21-18(22)15-12-16(19)13-15)14-25-6-4-23(5-7-25)2-3-24-8-10-26-11-9-24/h15-16H,2-14,19H2,1H3
InChIKeyZPUKMGYVEHOTIH-UHFFFAOYSA-N
MW363.51 g/mol
LogP-0.53
Rot. Bonds6

About 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91792047) has the molecular formula C18H33N7O and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91792047
Molecular FormulaC18H33N7O
Molecular Weight363.51 g/mol
Exact Mass363.27
IUPAC Name3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCn1c(CN2CCN(CCN3CCOCC3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C18H33N7O/c1-22-17(20-21-18(22)15-12-16(19)13-15)14-25-6-4-23(5-7-25)2-3-24-8-10-26-11-9-24/h15-16H,2-14,19H2,1H3
InChIKeyZPUKMGYVEHOTIH-UHFFFAOYSA-N
XLogP-0.53
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 5-0.53
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-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91792047) is 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is Cn1c(CN2CCN(CCN3CCOCC3)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is ZPUKMGYVEHOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O/c1-22-17(20-21-18(22)15-12-16(19)13-15)14-25-6-4-23(5-7-25)2-3-24-8-10-26-11-9-24/h15-16H,2-14,19H2,1H3.
What are the key properties of 3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-methyl-5-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 363.51 g/mol, XLogP of -0.53, 6 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-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91792047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).