3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide

C7H14N6S — CID 43369005

IUPAC3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1nnnn1C
InChIInChI=1S/C7H14N6S/c1-3-5(4-6(8)9)14-7-10-11-12-13(7)2/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyYQXAIZPBIOZBNV-UHFFFAOYSA-N
MW214.30 g/mol
LogP0.41
Rot. Bonds5

About 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide

3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide (PubChem CID 43369005) has the molecular formula C7H14N6S and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide
PubChem CID43369005
Molecular FormulaC7H14N6S
Molecular Weight214.30 g/mol
Exact Mass214.10
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1nnnn1C
InChIInChI=1S/C7H14N6S/c1-3-5(4-6(8)9)14-7-10-11-12-13(7)2/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyYQXAIZPBIOZBNV-UHFFFAOYSA-N
XLogP0.41
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide (CID 43369005) is 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide is [H]/N=C(\N)CC(CC)Sc1nnnn1C.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide?
The InChIKey is YQXAIZPBIOZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6S/c1-3-5(4-6(8)9)14-7-10-11-12-13(7)2/h5H,3-4H2,1-2H3,(H3,8,9).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide?
3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide has a molecular weight of 214.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide is sourced from PubChem (CID 43369005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).