[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine

C9H14N6S — CID 82221373

IUPAC[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1nnc(C)s1
InChIInChI=1S/C9H14N6S/c1-3-4-8-7(5-10)12-14-15(8)9-13-11-6(2)16-9/h3-5,10H2,1-2H3
InChIKeyMNLLBVVVPWDBEJ-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.84
Rot. Bonds4

About [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine

[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine (PubChem CID 82221373) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
PubChem CID82221373
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1nnc(C)s1
InChIInChI=1S/C9H14N6S/c1-3-4-8-7(5-10)12-14-15(8)9-13-11-6(2)16-9/h3-5,10H2,1-2H3
InChIKeyMNLLBVVVPWDBEJ-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
The IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine (CID 82221373) is [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine is CCCc1c(CN)nnn1-c1nnc(C)s1.
What is the InChIKey of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
The InChIKey is MNLLBVVVPWDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-3-4-8-7(5-10)12-14-15(8)9-13-11-6(2)16-9/h3-5,10H2,1-2H3.
What are the key properties of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine has a molecular weight of 238.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82221373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).