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

C17H23Cl2N5 — CID 91777122

IUPAC3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN(C)Cc2ccc(Cl)cc2Cl)nnc1C1CC(N)C1
InChIInChI=1S/C17H23Cl2N5/c1-3-24-16(21-22-17(24)12-6-14(20)7-12)10-23(2)9-11-4-5-13(18)8-15(11)19/h4-5,8,12,14H,3,6-7,9-10,20H2,1-2H3
InChIKeyVNFXQWJMJBZMKZ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.44
Rot. Bonds6

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

3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91777122) has the molecular formula C17H23Cl2N5 and a molecular weight of 368.31 g/mol. Its IUPAC name is 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91777122
Molecular FormulaC17H23Cl2N5
Molecular Weight368.31 g/mol
Exact Mass367.13
IUPAC Name3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN(C)Cc2ccc(Cl)cc2Cl)nnc1C1CC(N)C1
InChIInChI=1S/C17H23Cl2N5/c1-3-24-16(21-22-17(24)12-6-14(20)7-12)10-23(2)9-11-4-5-13(18)8-15(11)19/h4-5,8,12,14H,3,6-7,9-10,20H2,1-2H3
InChIKeyVNFXQWJMJBZMKZ-UHFFFAOYSA-N
XLogP3.44
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91798054
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 91843796
1-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 72851249
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91777122) is 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN(C)Cc2ccc(Cl)cc2Cl)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is VNFXQWJMJBZMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N5/c1-3-24-16(21-22-17(24)12-6-14(20)7-12)10-23(2)9-11-4-5-13(18)8-15(11)19/h4-5,8,12,14H,3,6-7,9-10,20H2,1-2H3.
What are the key properties of 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 368.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91777122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).