3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine

C9H14N6S — CID 82221424

IUPAC3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine
SMILESCc1nnc(-n2nnc(CCCN)c2C)s1
InChIInChI=1S/C9H14N6S/c1-6-8(4-3-5-10)12-14-15(6)9-13-11-7(2)16-9/h3-5,10H2,1-2H3
InChIKeySVRJFCDHRHQAFL-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.63
Rot. Bonds4

About 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine

3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine (PubChem CID 82221424) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine
PubChem CID82221424
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine
SMILESCc1nnc(-n2nnc(CCCN)c2C)s1
InChIInChI=1S/C9H14N6S/c1-6-8(4-3-5-10)12-14-15(6)9-13-11-7(2)16-9/h3-5,10H2,1-2H3
InChIKeySVRJFCDHRHQAFL-UHFFFAOYSA-N
XLogP0.63
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
CID 82221898
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94962754
[5-(3,4-difluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962757
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 82221388
[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962752
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
CID 82221855
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyltriazol-4-yl]acetic acid
CID 82221408
[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
CID 115013739
2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-3-amine
CID 66490603
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine (CID 82221424) is 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine is Cc1nnc(-n2nnc(CCCN)c2C)s1.
What is the InChIKey of 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine?
The InChIKey is SVRJFCDHRHQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-6-8(4-3-5-10)12-14-15(6)9-13-11-7(2)16-9/h3-5,10H2,1-2H3.
What are the key properties of 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine?
3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine has a molecular weight of 238.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 82221424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).