N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine

C7H9N5OS — CID 10703711

IUPACN-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine
SMILESCSc1nc2nc(C)cc(NO)n2n1
InChIInChI=1S/C7H9N5OS/c1-4-3-5(11-13)12-6(8-4)9-7(10-12)14-2/h3,11,13H,1-2H3
InChIKeyNCZZGGTVDFWIEB-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.96
Rot. Bonds2

About N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine

N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine (PubChem CID 10703711) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine
PubChem CID10703711
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC NameN-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine
SMILESCSc1nc2nc(C)cc(NO)n2n1
InChIInChI=1S/C7H9N5OS/c1-4-3-5(11-13)12-6(8-4)9-7(10-12)14-2/h3,11,13H,1-2H3
InChIKeyNCZZGGTVDFWIEB-UHFFFAOYSA-N
XLogP0.96
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 67119856
(5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 155544121
(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine;dihydrochloride
CID 45262126
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78837351
5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
2-benzylsulfanyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12915212
N-(4,6-dimethylpyrimidin-2-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 15883017
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4821181
(4S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pentan-1-ol
CID 125420364
[[2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]carbamodithioic acid
CID 71698280
N-(3,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2587228
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine?
The IUPAC name of N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine (CID 10703711) is N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine.
What is the SMILES notation for N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine?
The canonical SMILES for N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine is CSc1nc2nc(C)cc(NO)n2n1.
What is the InChIKey of N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine?
The InChIKey is NCZZGGTVDFWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-4-3-5(11-13)12-6(8-4)9-7(10-12)14-2/h3,11,13H,1-2H3.
What are the key properties of N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine?
N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine has a molecular weight of 211.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydroxylamine is sourced from PubChem (CID 10703711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).