3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine

C9H12N6S — CID 103943106

IUPAC3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1ncn[nH]1
InChIInChI=1S/C9H12N6S/c1-5(7-10-4-11-14-7)12-9-13-8(15-16-9)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,14)(H,12,13,15)
InChIKeyVABNLTJQKFOXAX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.71
Rot. Bonds4

About 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103943106) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103943106
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1ncn[nH]1
InChIInChI=1S/C9H12N6S/c1-5(7-10-4-11-14-7)12-9-13-8(15-16-9)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,14)(H,12,13,15)
InChIKeyVABNLTJQKFOXAX-UHFFFAOYSA-N
XLogP1.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 103943106) is 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)c1ncn[nH]1.
What is the InChIKey of 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is VABNLTJQKFOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-5(7-10-4-11-14-7)12-9-13-8(15-16-9)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,14)(H,12,13,15).
What are the key properties of 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 236.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103943106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).