N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine

C15H27N5O — CID 91784875

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine
SMILESCN(C)Cc1nnc(C2CC(NC3CCOCC3)C2)n1C
InChIInChI=1S/C15H27N5O/c1-19(2)10-14-17-18-15(20(14)3)11-8-13(9-11)16-12-4-6-21-7-5-12/h11-13,16H,4-10H2,1-3H3
InChIKeyRQRWFKJMJRNTPL-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.89
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine (PubChem CID 91784875) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine
PubChem CID91784875
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine
SMILESCN(C)Cc1nnc(C2CC(NC3CCOCC3)C2)n1C
InChIInChI=1S/C15H27N5O/c1-19(2)10-14-17-18-15(20(14)3)11-8-13(9-11)16-12-4-6-21-7-5-12/h11-13,16H,4-10H2,1-3H3
InChIKeyRQRWFKJMJRNTPL-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
CID 91786393
4-cyano-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide;hydrochloride
CID 154902665
[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
CID 91781965
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
CID 91776521
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91792882
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide;hydrochloride
CID 154903589
2-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 70732012
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91777461
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91768343
2-(1,2-benzoxazol-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91797497
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 154902247
2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91798143

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine (CID 91784875) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine is CN(C)Cc1nnc(C2CC(NC3CCOCC3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine?
The InChIKey is RQRWFKJMJRNTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-19(2)10-14-17-18-15(20(14)3)11-8-13(9-11)16-12-4-6-21-7-5-12/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine has a molecular weight of 293.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine is sourced from PubChem (CID 91784875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).