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

C7H14N4OS — CID 104604791

IUPAC2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
SMILESCn1ncnc1SCCC(N)CO
InChIInChI=1S/C7H14N4OS/c1-11-7(9-5-10-11)13-3-2-6(8)4-12/h5-6,12H,2-4,8H2,1H3
InChIKeyIEOOFYNIWQZDHI-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.38
Rot. Bonds5

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

2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol (PubChem CID 104604791) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
PubChem CID104604791
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
SMILESCn1ncnc1SCCC(N)CO
InChIInChI=1S/C7H14N4OS/c1-11-7(9-5-10-11)13-3-2-6(8)4-12/h5-6,12H,2-4,8H2,1H3
InChIKeyIEOOFYNIWQZDHI-UHFFFAOYSA-N
XLogP-0.38
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
CID 104604503
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 104588098
3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentane-1-thiol
CID 104604845
5-(3,3-diethoxypropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104603526
methyl 2-(methylamino)-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate
CID 104603816
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanimidamide
CID 104603220
1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511553
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 130503293
5-(3-bromopropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602646
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 104604202
2-(ethylamino)-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 104603871
5-(5-chloropentylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602624

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol?
The IUPAC name of 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol (CID 104604791) is 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol is Cn1ncnc1SCCC(N)CO.
What is the InChIKey of 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol?
The InChIKey is IEOOFYNIWQZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-11-7(9-5-10-11)13-3-2-6(8)4-12/h5-6,12H,2-4,8H2,1H3.
What are the key properties of 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol?
2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol has a molecular weight of 202.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 104604791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).