N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine

C6H8N6S — CID 130979798

IUPACN-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(Cn2cncn2)ns1
InChIInChI=1S/C6H8N6S/c1-7-6-10-5(11-13-6)2-12-4-8-3-9-12/h3-4H,2H2,1H3,(H,7,10,11)
InChIKeyZAHSNACGRCUEQK-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.22
Rot. Bonds3

About N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130979798) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID130979798
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC NameN-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(Cn2cncn2)ns1
InChIInChI=1S/C6H8N6S/c1-7-6-10-5(11-13-6)2-12-4-8-3-9-12/h3-4H,2H2,1H3,(H,7,10,11)
InChIKeyZAHSNACGRCUEQK-UHFFFAOYSA-N
XLogP0.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 107557738
4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 164652226
[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655682
4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 80664132
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 43146912
[5-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764015
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 130979798) is N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine is CNc1nc(Cn2cncn2)ns1.
What is the InChIKey of N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZAHSNACGRCUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-7-6-10-5(11-13-6)2-12-4-8-3-9-12/h3-4H,2H2,1H3,(H,7,10,11).
What are the key properties of N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 196.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130979798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).