3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide

C8H15N7 — CID 63152224

IUPAC3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nnnn1C)C1CC1
InChIInChI=1S/C8H15N7/c1-14-8(11-12-13-14)15(6-2-3-6)5-4-7(9)10/h6H,2-5H2,1H3,(H3,9,10)
InChIKeyNOHRIBOWDLMNOU-UHFFFAOYSA-N
MW209.26 g/mol
LogP-0.50
Rot. Bonds5

About 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide

3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide (PubChem CID 63152224) has the molecular formula C8H15N7 and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide
PubChem CID63152224
Molecular FormulaC8H15N7
Molecular Weight209.26 g/mol
Exact Mass209.14
IUPAC Name3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nnnn1C)C1CC1
InChIInChI=1S/C8H15N7/c1-14-8(11-12-13-14)15(6-2-3-6)5-4-7(9)10/h6H,2-5H2,1H3,(H3,9,10)
InChIKeyNOHRIBOWDLMNOU-UHFFFAOYSA-N
XLogP-0.50
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 5-0.50
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-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide (CID 63152224) is 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1nnnn1C)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The InChIKey is NOHRIBOWDLMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7/c1-14-8(11-12-13-14)15(6-2-3-6)5-4-7(9)10/h6H,2-5H2,1H3,(H3,9,10).
What are the key properties of 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide has a molecular weight of 209.26 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 63152224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).