1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine

C11H13N7S — CID 114354474

IUPAC1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine
SMILESNC(Cc1cnc[nH]1)c1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C11H13N7S/c12-8(3-7-4-13-5-14-7)10-17-18-9(6-1-2-6)15-16-11(18)19-10/h4-6,8H,1-3,12H2,(H,13,14)
InChIKeyJZRWJCNSCJTXHZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.03
Rot. Bonds4

About 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine

1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 114354474) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine
PubChem CID114354474
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine
SMILESNC(Cc1cnc[nH]1)c1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C11H13N7S/c12-8(3-7-4-13-5-14-7)10-17-18-9(6-1-2-6)15-16-11(18)19-10/h4-6,8H,1-3,12H2,(H,13,14)
InChIKeyJZRWJCNSCJTXHZ-UHFFFAOYSA-N
XLogP1.03
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenylmethanamine
CID 114355644
1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114354845
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114355869
3-cyclopropyl-6-[(1S)-1-(1,2,4-triazol-1-yl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95463576
6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
CID 114355597
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354868
2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62694253
3-cyclopentyl-6-(diethoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356311
methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352563

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine (CID 114354474) is 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine is NC(Cc1cnc[nH]1)c1nn2c(C3CC3)nnc2s1.
What is the InChIKey of 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is JZRWJCNSCJTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c12-8(3-7-4-13-5-14-7)10-17-18-9(6-1-2-6)15-16-11(18)19-10/h4-6,8H,1-3,12H2,(H,13,14).
What are the key properties of 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine?
1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 275.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 114354474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).