3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine

C7H10N6S — CID 130549061

IUPAC3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)n1cc(-c2nsc(N)n2)nn1
InChIInChI=1S/C7H10N6S/c1-4(2)13-3-5(10-12-13)6-9-7(8)14-11-6/h3-4H,1-2H3,(H2,8,9,11)
InChIKeyLWVANRSFHQQDPY-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.96
Rot. Bonds2

About 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine

3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 130549061) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID130549061
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)n1cc(-c2nsc(N)n2)nn1
InChIInChI=1S/C7H10N6S/c1-4(2)13-3-5(10-12-13)6-9-7(8)14-11-6/h3-4H,1-2H3,(H2,8,9,11)
InChIKeyLWVANRSFHQQDPY-UHFFFAOYSA-N
XLogP0.96
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 130549061) is 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine is CC(C)n1cc(-c2nsc(N)n2)nn1.
What is the InChIKey of 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LWVANRSFHQQDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-4(2)13-3-5(10-12-13)6-9-7(8)14-11-6/h3-4H,1-2H3,(H2,8,9,11).
What are the key properties of 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 210.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yltriazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130549061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).