3-methyl-N-(thiolan-3-yl)triazol-4-amine

C7H12N4S — CID 130486465

IUPAC3-methyl-N-(thiolan-3-yl)triazol-4-amine
SMILESCn1nncc1NC1CCSC1
InChIInChI=1S/C7H12N4S/c1-11-7(4-8-10-11)9-6-2-3-12-5-6/h4,6,9H,2-3,5H2,1H3
InChIKeyFGMNAWGPWTVQBJ-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.73
Rot. Bonds2

About 3-methyl-N-(thiolan-3-yl)triazol-4-amine

3-methyl-N-(thiolan-3-yl)triazol-4-amine (PubChem CID 130486465) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 3-methyl-N-(thiolan-3-yl)triazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-(thiolan-3-yl)triazol-4-amine
PubChem CID130486465
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name3-methyl-N-(thiolan-3-yl)triazol-4-amine
SMILESCn1nncc1NC1CCSC1
InChIInChI=1S/C7H12N4S/c1-11-7(4-8-10-11)9-6-2-3-12-5-6/h4,6,9H,2-3,5H2,1H3
InChIKeyFGMNAWGPWTVQBJ-UHFFFAOYSA-N
XLogP0.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 115925984
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CID 103704352
3-methyl-N-(2-methylcyclohexyl)triazol-4-amine
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1-methyl-N-(thiolan-3-yl)imidazol-2-amine
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2-butyl-N-(thiolan-3-yl)pyrazol-3-amine
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N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70777576
N-(3-methyltriazol-4-yl)cyclopropanesulfonamide
CID 130666164
2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
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5-ethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
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CID 130978376

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiolan-3-yl)triazol-4-amine?
The IUPAC name of 3-methyl-N-(thiolan-3-yl)triazol-4-amine (CID 130486465) is 3-methyl-N-(thiolan-3-yl)triazol-4-amine.
What is the SMILES notation for 3-methyl-N-(thiolan-3-yl)triazol-4-amine?
The canonical SMILES for 3-methyl-N-(thiolan-3-yl)triazol-4-amine is Cn1nncc1NC1CCSC1.
What is the InChIKey of 3-methyl-N-(thiolan-3-yl)triazol-4-amine?
The InChIKey is FGMNAWGPWTVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-11-7(4-8-10-11)9-6-2-3-12-5-6/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 3-methyl-N-(thiolan-3-yl)triazol-4-amine?
3-methyl-N-(thiolan-3-yl)triazol-4-amine has a molecular weight of 184.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiolan-3-yl)triazol-4-amine is sourced from PubChem (CID 130486465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).