cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine

C13H13N5S — CID 114353329

IUPACcyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
SMILESNC(c1nn2c(-c3ccccc3)nnc2s1)C1CC1
InChIInChI=1S/C13H13N5S/c14-10(8-6-7-8)12-17-18-11(15-16-13(18)19-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,14H2
InChIKeyMEKSDUXUAHIQEX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.26
Rot. Bonds3

About cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine

cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine (PubChem CID 114353329) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
PubChem CID114353329
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Namecyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
SMILESNC(c1nn2c(-c3ccccc3)nnc2s1)C1CC1
InChIInChI=1S/C13H13N5S/c14-10(8-6-7-8)12-17-18-11(15-16-13(18)19-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,14H2
InChIKeyMEKSDUXUAHIQEX-UHFFFAOYSA-N
XLogP2.26
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114353290
cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114354745
ethyl 2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate
CID 114352689
N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114356358
1-(3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 82044608
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353284
N-ethyl-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
CID 114353289
N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopropanamine
CID 114353256
1,1,1-trifluoro-3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-ol
CID 114356323
4-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
CID 82484120
3,3-dimethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114353324
(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenylmethanamine
CID 114355644

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The IUPAC name of cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine (CID 114353329) is cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine is NC(c1nn2c(-c3ccccc3)nnc2s1)C1CC1.
What is the InChIKey of cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The InChIKey is MEKSDUXUAHIQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c14-10(8-6-7-8)12-17-18-11(15-16-13(18)19-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,14H2.
What are the key properties of cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine has a molecular weight of 271.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine is sourced from PubChem (CID 114353329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).