1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

C9H16N4OS — CID 61346878

IUPAC1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESCc1nc(SCC(O)CNC2CC2)n[nH]1
InChIInChI=1S/C9H16N4OS/c1-6-11-9(13-12-6)15-5-8(14)4-10-7-2-3-7/h7-8,10,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyHPHUOPUNQAASJI-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.32
Rot. Bonds6

About 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (PubChem CID 61346878) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
PubChem CID61346878
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESCc1nc(SCC(O)CNC2CC2)n[nH]1
InChIInChI=1S/C9H16N4OS/c1-6-11-9(13-12-6)15-5-8(14)4-10-7-2-3-7/h7-8,10,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyHPHUOPUNQAASJI-UHFFFAOYSA-N
XLogP0.32
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

1-cyclopentyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 103160775
4-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 62581569
N-[[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240414
2-(cyclopropylamino)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 63033635
2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
CID 63591170
1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511444
1-(cyclopropylamino)-3-(2,5-dimethylphenyl)sulfanylpropan-2-ol
CID 43166408
2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135906782
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,1-dioxothiolan-3-amine
CID 55092606
1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
CID 43345398
3-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-1,2,4-triazole
CID 63629618
1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (CID 61346878) is 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is Cc1nc(SCC(O)CNC2CC2)n[nH]1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The InChIKey is HPHUOPUNQAASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6-11-9(13-12-6)15-5-8(14)4-10-7-2-3-7/h7-8,10,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol has a molecular weight of 228.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 61346878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).