1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide

C8H12N8S — CID 55243104

IUPAC1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1nnnn1C
InChIInChI=1S/C8H12N8S/c1-4-5(6(9)10)7(15(2)12-4)17-8-11-13-14-16(8)3/h1-3H3,(H3,9,10)
InChIKeyUOPBLCWKOYUFSA-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.31
Rot. Bonds3

About 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide

1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide (PubChem CID 55243104) has the molecular formula C8H12N8S and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide
PubChem CID55243104
Molecular FormulaC8H12N8S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1nnnn1C
InChIInChI=1S/C8H12N8S/c1-4-5(6(9)10)7(15(2)12-4)17-8-11-13-14-16(8)3/h1-3H3,(H3,9,10)
InChIKeyUOPBLCWKOYUFSA-UHFFFAOYSA-N
XLogP-0.31
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide (CID 55243104) is 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1Sc1nnnn1C.
What is the InChIKey of 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide?
The InChIKey is UOPBLCWKOYUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8S/c1-4-5(6(9)10)7(15(2)12-4)17-8-11-13-14-16(8)3/h1-3H3,(H3,9,10).
What are the key properties of 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide?
1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide has a molecular weight of 252.31 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide is sourced from PubChem (CID 55243104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).