2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol

C8H16N4OS — CID 64806354

IUPAC2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1ncn[nH]1
InChIInChI=1S/C8H16N4OS/c1-6(3-8(2,9)4-13)14-7-10-5-11-12-7/h5-6,13H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyLELHVKFHOVYELW-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol

2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol (PubChem CID 64806354) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol
PubChem CID64806354
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1ncn[nH]1
InChIInChI=1S/C8H16N4OS/c1-6(3-8(2,9)4-13)14-7-10-5-11-12-7/h5-6,13H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyLELHVKFHOVYELW-UHFFFAOYSA-N
XLogP0.39
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-2-amine
CID 64704632
methyl 2-(cyclopropylamino)-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate
CID 64709876
4,4,4-trifluoro-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine
CID 43753406
3-amino-4-methoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
CID 114370036
2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
CID 64806498
(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 106933255
1H-1,2,4-triazol-5-ylsulfanylmethyl 2,2-dimethylpropanoate
CID 91662451
5-(difluoromethylsulfanyl)-1H-1,2,4-triazole
CID 130656943
2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol
CID 64819942
N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 130626422
N-ethyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-2-amine
CID 64620627
1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine
CID 107524497

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol (CID 64806354) is 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol is CC(CC(C)(N)CO)Sc1ncn[nH]1.
What is the InChIKey of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol?
The InChIKey is LELHVKFHOVYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6(3-8(2,9)4-13)14-7-10-5-11-12-7/h5-6,13H,3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol?
2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol has a molecular weight of 216.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64806354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).