2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide

C10H19N5S — CID 104603232

IUPAC2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCSc1ncnn1C
InChIInChI=1S/C10H19N5S/c1-10(2,8(11)12)5-4-6-16-9-13-7-14-15(9)3/h7H,4-6H2,1-3H3,(H3,11,12)
InChIKeyPLMBRJIIQWBEJF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.65
Rot. Bonds6

About 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide

2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide (PubChem CID 104603232) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
PubChem CID104603232
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCSc1ncnn1C
InChIInChI=1S/C10H19N5S/c1-10(2,8(11)12)5-4-6-16-9-13-7-14-15(9)3/h7H,4-6H2,1-3H3,(H3,11,12)
InChIKeyPLMBRJIIQWBEJF-UHFFFAOYSA-N
XLogP1.65
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
CID 104603842
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanimidamide
CID 104603220
3-(aminomethyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-ol
CID 106811670
2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 104603871
2-methyl-2-(methylamino)-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604816
1-amino-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-2-ol
CID 104604840
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 104588098
2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide
CID 65262979
methyl 2-amino-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexanoate
CID 104603903
2,2-dimethyl-5-pyrazol-1-ylpentanimidamide
CID 65258391
5-(3-bromopropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602646
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide (CID 104603232) is 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCSc1ncnn1C.
What is the InChIKey of 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide?
The InChIKey is PLMBRJIIQWBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-10(2,8(11)12)5-4-6-16-9-13-7-14-15(9)3/h7H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide?
2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide has a molecular weight of 241.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide is sourced from PubChem (CID 104603232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).