N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine

C7H10N6S — CID 105184460

IUPACN-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1cnnn1C
InChIInChI=1S/C7H10N6S/c1-8-7(5-4-14-12-10-5)6-3-9-11-13(6)2/h3-4,7-8H,1-2H3
InChIKeyVMRYUVOKHIJIKS-UHFFFAOYSA-N
MW210.27 g/mol
LogP-0.02
Rot. Bonds3

About N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine

N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine (PubChem CID 105184460) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
PubChem CID105184460
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameN-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1cnnn1C
InChIInChI=1S/C7H10N6S/c1-8-7(5-4-14-12-10-5)6-3-9-11-13(6)2/h3-4,7-8H,1-2H3
InChIKeyVMRYUVOKHIJIKS-UHFFFAOYSA-N
XLogP-0.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114269405
1-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043669
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043561
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
CID 105182120
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine (CID 105184460) is N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine is CNC(c1csnn1)c1cnnn1C.
What is the InChIKey of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine?
The InChIKey is VMRYUVOKHIJIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-8-7(5-4-14-12-10-5)6-3-9-11-13(6)2/h3-4,7-8H,1-2H3.
What are the key properties of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine?
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine has a molecular weight of 210.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105184460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).