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

C9H18N4OS — CID 114370173

IUPAC3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1nncn1C
InChIInChI=1S/C9H18N4OS/c1-6(2)8(10)7(4-14)15-9-12-11-5-13(9)3/h5-8,14H,4,10H2,1-3H3
InChIKeyKMWUQABEPDAXAG-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.25
Rot. Bonds5

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

3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol (PubChem CID 114370173) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
PubChem CID114370173
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1nncn1C
InChIInChI=1S/C9H18N4OS/c1-6(2)8(10)7(4-14)15-9-12-11-5-13(9)3/h5-8,14H,4,10H2,1-3H3
InChIKeyKMWUQABEPDAXAG-UHFFFAOYSA-N
XLogP0.25
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 60626094
3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine;hydrochloride
CID 86262548
3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
CID 114370185
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
methyl (2S)-2-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 94055657
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 7326586
2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 43530547
1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 63819294
3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64899830
N-tert-butyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46625144
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol (CID 114370173) is 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol is CC(C)C(N)C(CO)Sc1nncn1C.
What is the InChIKey of 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
The InChIKey is KMWUQABEPDAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-6(2)8(10)7(4-14)15-9-12-11-5-13(9)3/h5-8,14H,4,10H2,1-3H3.
What are the key properties of 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol?
3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol has a molecular weight of 230.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 114370173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).