N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C8H16N4S — CID 83880783

IUPACN-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCNCc1nnc(SC)n1C(C)C
InChIInChI=1S/C8H16N4S/c1-6(2)12-7(5-9-3)10-11-8(12)13-4/h6,9H,5H2,1-4H3
InChIKeyTTXPADMSLGSNOZ-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 83880783) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID83880783
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCNCc1nnc(SC)n1C(C)C
InChIInChI=1S/C8H16N4S/c1-6(2)12-7(5-9-3)10-11-8(12)13-4/h6,9H,5H2,1-4H3
InChIKeyTTXPADMSLGSNOZ-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 11240760
2-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 63313072
(2R)-N-ethyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 126426005
5-[2-(methylamino)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63095774
[4-propan-2-yl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313029
N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride
CID 154906198
acetic acid;2-[[5-(methylaminomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 154906114
3-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 63313172
1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 83880333
2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine
CID 83886429
3-(chloromethyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
CID 23462213
(5-cycloheptylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82929340

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 83880783) is N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CNCc1nnc(SC)n1C(C)C.
What is the InChIKey of N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is TTXPADMSLGSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-6(2)12-7(5-9-3)10-11-8(12)13-4/h6,9H,5H2,1-4H3.
What are the key properties of N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 200.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 83880783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).