N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine

C14H15N5OS — CID 114353227

IUPACN-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
SMILESCNC1COCC1c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C14H15N5OS/c1-15-11-8-20-7-10(11)13-18-19-12(16-17-14(19)21-13)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3
InChIKeyIXFSRKDOCKYVSJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine

N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine (PubChem CID 114353227) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
PubChem CID114353227
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
SMILESCNC1COCC1c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C14H15N5OS/c1-15-11-8-20-7-10(11)13-18-19-12(16-17-14(19)21-13)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3
InChIKeyIXFSRKDOCKYVSJ-UHFFFAOYSA-N
XLogP1.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
CID 114355513
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
CID 114354060
4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
CID 114353068
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353284
3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353243
(3S)-3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dihydroisochromen-1-one
CID 977701
3-phenyl-6-thiomorpholin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353333
3-(4-tert-butylphenyl)-6-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313621
N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopropanamine
CID 114353256
methyl 1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopropane-1-carboxylate
CID 114352686
cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114353329
6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052963

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
The IUPAC name of N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine (CID 114353227) is N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine.
What is the SMILES notation for N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
The canonical SMILES for N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine is CNC1COCC1c1nn2c(-c3ccccc3)nnc2s1.
What is the InChIKey of N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
The InChIKey is IXFSRKDOCKYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-15-11-8-20-7-10(11)13-18-19-12(16-17-14(19)21-13)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3.
What are the key properties of N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine has a molecular weight of 301.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine is sourced from PubChem (CID 114353227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).