3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C14H23N7O — CID 91784287

IUPAC3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN(C)Cc2noc(C)n2)nnc1C1CC(N)C1
InChIInChI=1S/C14H23N7O/c1-4-21-13(17-18-14(21)10-5-11(15)6-10)8-20(3)7-12-16-9(2)22-19-12/h10-11H,4-8,15H2,1-3H3
InChIKeyZCCPHRUWHUWTPN-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.83
Rot. Bonds6

About 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91784287) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91784287
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN(C)Cc2noc(C)n2)nnc1C1CC(N)C1
InChIInChI=1S/C14H23N7O/c1-4-21-13(17-18-14(21)10-5-11(15)6-10)8-20(3)7-12-16-9(2)22-19-12/h10-11H,4-8,15H2,1-3H3
InChIKeyZCCPHRUWHUWTPN-UHFFFAOYSA-N
XLogP0.83
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91791098
3-[4-ethyl-5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91797860
3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777122
3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91781413
cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324408
3-[4-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91780106
3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91798054
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
[2-[[4-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 91767706
N-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-phenyloxan-4-amine
CID 91762948
3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777665
3-[4-ethyl-5-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790909

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91784287) is 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN(C)Cc2noc(C)n2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is ZCCPHRUWHUWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-4-21-13(17-18-14(21)10-5-11(15)6-10)8-20(3)7-12-16-9(2)22-19-12/h10-11H,4-8,15H2,1-3H3.
What are the key properties of 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 305.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91784287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).