N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine

C7H10N6S — CID 65268481

IUPACN-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C7H10N6S/c1-4(2)10-7-11-6(13-14-7)5-8-3-9-12-5/h3-4H,1-2H3,(H,8,9,12)(H,10,11,13)
InChIKeySQWHJXPYBZBAMN-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.14
Rot. Bonds3

About N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine

N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268481) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268481
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameN-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C7H10N6S/c1-4(2)10-7-11-6(13-14-7)5-8-3-9-12-5/h3-4H,1-2H3,(H,8,9,12)(H,10,11,13)
InChIKeySQWHJXPYBZBAMN-UHFFFAOYSA-N
XLogP1.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (CID 65268481) is N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(-c2ncn[nH]2)ns1.
What is the InChIKey of N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SQWHJXPYBZBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-4(2)10-7-11-6(13-14-7)5-8-3-9-12-5/h3-4H,1-2H3,(H,8,9,12)(H,10,11,13).
What are the key properties of N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 210.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).