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

C6H8N6S — CID 65208571

IUPAC[1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1nnc(-n2cnc(CN)n2)s1
InChIInChI=1S/C6H8N6S/c1-4-9-10-6(13-4)12-3-8-5(2-7)11-12/h3H,2,7H2,1H3
InChIKeyHHVPTVLQVSAAME-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.11
Rot. Bonds2

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

[1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 65208571) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine
PubChem CID65208571
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1nnc(-n2cnc(CN)n2)s1
InChIInChI=1S/C6H8N6S/c1-4-9-10-6(13-4)12-3-8-5(2-7)11-12/h3H,2,7H2,1H3
InChIKeyHHVPTVLQVSAAME-UHFFFAOYSA-N
XLogP-0.11
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 155512326
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104925136
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113626147
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449646
[1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine
CID 114450244
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133491972
2-Methylsulfanyl-5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazole
CID 131063946
(4-methyl-1,2,4-triazol-3-yl)methyl N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]carbamimidothioate
CID 163601455
2-(5-Methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
CID 167443432
2,5-Dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole
CID 172235360
5-(1,2,4-Triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 10954150
[1-(1-Methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine
CID 63150314

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine (CID 65208571) is [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine is Cc1nnc(-n2cnc(CN)n2)s1.
What is the InChIKey of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is HHVPTVLQVSAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-4-9-10-6(13-4)12-3-8-5(2-7)11-12/h3H,2,7H2,1H3.
What are the key properties of [1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine?
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 196.24 g/mol, XLogP of -0.11, 2 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)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 65208571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).