2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol

C9H18N4OS — CID 64807439

IUPAC2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
SMILESCn1cnnc1SCCCC(C)(N)CO
InChIInChI=1S/C9H18N4OS/c1-9(10,6-14)4-3-5-15-8-12-11-7-13(8)2/h7,14H,3-6,10H2,1-2H3
InChIKeyYCUBKCWMBDDFDH-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.40
Rot. Bonds6

About 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol

2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol (PubChem CID 64807439) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
PubChem CID64807439
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
SMILESCn1cnnc1SCCCC(C)(N)CO
InChIInChI=1S/C9H18N4OS/c1-9(10,6-14)4-3-5-15-8-12-11-7-13(8)2/h7,14H,3-6,10H2,1-2H3
InChIKeyYCUBKCWMBDDFDH-UHFFFAOYSA-N
XLogP0.40
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol with MolForge

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Related Compounds

2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
CID 64806394
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 65248710
3-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 131206964
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 77062438
2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806204
2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807236
2-ethyl-2-(methylamino)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid
CID 106807369
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-amine
CID 106808273
2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807850
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 141181346

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol (CID 64807439) is 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol is Cn1cnnc1SCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
The InChIKey is YCUBKCWMBDDFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-9(10,6-14)4-3-5-15-8-12-11-7-13(8)2/h7,14H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol has a molecular weight of 230.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 64807439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).