N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine

C6H11N3OS — CID 129173858

IUPACN-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NSO
InChIInChI=1S/C6H11N3OS/c1-4-6(8-11-10)5(2)9(3)7-4/h8,10H,1-3H3
InChIKeyAGZUIXNRHSBURC-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.57
Rot. Bonds2

About N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine

N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine (PubChem CID 129173858) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine
PubChem CID129173858
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameN-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NSO
InChIInChI=1S/C6H11N3OS/c1-4-6(8-11-10)5(2)9(3)7-4/h8,10H,1-3H3
InChIKeyAGZUIXNRHSBURC-UHFFFAOYSA-N
XLogP1.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342939
1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine
CID 82536261
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate
CID 82539691
(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide
CID 110470173
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
CID 130573982
1,3,5-trimethyl-N-phenylpyrazol-4-amine
CID 82537419
(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8883520
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
CID 82539337
2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43249575
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 61252272

Frequently Asked Questions

What is the IUPAC name of N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine (CID 129173858) is N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NSO.
What is the InChIKey of N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is AGZUIXNRHSBURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4-6(8-11-10)5(2)9(3)7-4/h8,10H,1-3H3.
What are the key properties of N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine?
N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 173.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 129173858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).