N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide

C8H9N7OS — CID 136678332

IUPACN'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Sc2ncn[nH]2)n1
InChIInChI=1S/C8H9N7OS/c1-4-2-5(6(9)15-16)13-8(12-4)17-7-10-3-11-14-7/h2-3,16H,1H3,(H2,9,15)(H,10,11,14)
InChIKeyFTHLVOHDKYICSI-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.15
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide (PubChem CID 136678332) has the molecular formula C8H9N7OS and a molecular weight of 251.28 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
PubChem CID136678332
Molecular FormulaC8H9N7OS
Molecular Weight251.28 g/mol
Exact Mass251.06
IUPAC NameN'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Sc2ncn[nH]2)n1
InChIInChI=1S/C8H9N7OS/c1-4-2-5(6(9)15-16)13-8(12-4)17-7-10-3-11-14-7/h2-3,16H,1H3,(H2,9,15)(H,10,11,14)
InChIKeyFTHLVOHDKYICSI-UHFFFAOYSA-N
XLogP0.15
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide (CID 136678332) is N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(Sc2ncn[nH]2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
The InChIKey is FTHLVOHDKYICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7OS/c1-4-2-5(6(9)15-16)13-8(12-4)17-7-10-3-11-14-7/h2-3,16H,1H3,(H2,9,15)(H,10,11,14).
What are the key properties of N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide has a molecular weight of 251.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136678332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).