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

C17H28N4O2 — CID 128602589

IUPACN-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine
SMILESCN(c1nnc([C@H]2CCCO2)n1CC1CCCCO1)C1CCC1
InChIInChI=1S/C17H28N4O2/c1-20(13-6-4-7-13)17-19-18-16(15-9-5-11-23-15)21(17)12-14-8-2-3-10-22-14/h13-15H,2-12H2,1H3/t14?,15-/m1/s1
InChIKeyCQKHEJBWWCBYIU-YSSOQSIOSA-N
MW320.44 g/mol
LogP2.69
Rot. Bonds5

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

N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine (PubChem CID 128602589) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine
PubChem CID128602589
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine
SMILESCN(c1nnc([C@H]2CCCO2)n1CC1CCCCO1)C1CCC1
InChIInChI=1S/C17H28N4O2/c1-20(13-6-4-7-13)17-19-18-16(15-9-5-11-23-15)21(17)12-14-8-2-3-10-22-14/h13-15H,2-12H2,1H3/t14?,15-/m1/s1
InChIKeyCQKHEJBWWCBYIU-YSSOQSIOSA-N
XLogP2.69
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

3-(bromomethyl)-4-ethyl-5-(oxolan-2-yl)-1,2,4-triazole
CID 115399474
2-[[5-[cyclohexyl(methyl)amino]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43645902
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
3-(bromomethyl)-5-(oxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115398988
3-(chloromethyl)-5-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115398211
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine
CID 154796921
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
N,N-dimethyl-2-(oxolan-2-ylmethyl)pyrazol-3-amine
CID 142163207

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine?
The IUPAC name of N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine (CID 128602589) is N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine is CN(c1nnc([C@H]2CCCO2)n1CC1CCCCO1)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine?
The InChIKey is CQKHEJBWWCBYIU-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(13-6-4-7-13)17-19-18-16(15-9-5-11-23-15)21(17)12-14-8-2-3-10-22-14/h13-15H,2-12H2,1H3/t14?,15-/m1/s1.
What are the key properties of N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine?
N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 320.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 128602589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).