5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine

C7H10N6S — CID 123235187

IUPAC5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine
SMILESCNc1cc(NSc2cnc[nH]2)[nH]n1
InChIInChI=1S/C7H10N6S/c1-8-5-2-6(12-11-5)13-14-7-3-9-4-10-7/h2-4H,1H3,(H,9,10)(H3,8,11,12,13)
InChIKeyPZCOZYLKEJNHAC-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.29
Rot. Bonds4

About 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine

5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine (PubChem CID 123235187) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine
PubChem CID123235187
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine
SMILESCNc1cc(NSc2cnc[nH]2)[nH]n1
InChIInChI=1S/C7H10N6S/c1-8-5-2-6(12-11-5)13-14-7-3-9-4-10-7/h2-4H,1H3,(H,9,10)(H3,8,11,12,13)
InChIKeyPZCOZYLKEJNHAC-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine?
The IUPAC name of 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine (CID 123235187) is 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine is CNc1cc(NSc2cnc[nH]2)[nH]n1.
What is the InChIKey of 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine?
The InChIKey is PZCOZYLKEJNHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-8-5-2-6(12-11-5)13-14-7-3-9-4-10-7/h2-4H,1H3,(H,9,10)(H3,8,11,12,13).
What are the key properties of 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine?
5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine has a molecular weight of 210.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 123235187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).