2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol

C8H16N4OS — CID 64807236

IUPAC2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCNC(C)(CO)CSc1nncn1C
InChIInChI=1S/C8H16N4OS/c1-8(4-13,9-2)5-14-7-11-10-6-12(7)3/h6,9,13H,4-5H2,1-3H3
InChIKeyCHPVJOQFCFYNPK-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.12
Rot. Bonds5

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

2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (PubChem CID 64807236) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
PubChem CID64807236
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCNC(C)(CO)CSc1nncn1C
InChIInChI=1S/C8H16N4OS/c1-8(4-13,9-2)5-14-7-11-10-6-12(7)3/h6,9,13H,4-5H2,1-3H3
InChIKeyCHPVJOQFCFYNPK-UHFFFAOYSA-N
XLogP-0.12
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807850
2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
CID 64806394
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807848
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 2385589
2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64807439
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64807032
2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805993
N-tert-butyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4655394
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propylamino)propan-1-ol
CID 64805973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (CID 64807236) is 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is CNC(C)(CO)CSc1nncn1C.
What is the InChIKey of 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The InChIKey is CHPVJOQFCFYNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-8(4-13,9-2)5-14-7-11-10-6-12(7)3/h6,9,13H,4-5H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol has a molecular weight of 216.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64807236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).