N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide

C7H12N6 — CID 63176470

IUPACN'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide
SMILESCC(/N=C(\N)C1CC1)c1nn[nH]n1
InChIInChI=1S/C7H12N6/c1-4(7-10-12-13-11-7)9-6(8)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11,12,13)
InChIKeyZVOMYRLOXVAITQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.03
Rot. Bonds3

About N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide

N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide (PubChem CID 63176470) has the molecular formula C7H12N6 and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide
PubChem CID63176470
Molecular FormulaC7H12N6
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC NameN'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide
SMILESCC(/N=C(\N)C1CC1)c1nn[nH]n1
InChIInChI=1S/C7H12N6/c1-4(7-10-12-13-11-7)9-6(8)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11,12,13)
InChIKeyZVOMYRLOXVAITQ-UHFFFAOYSA-N
XLogP0.03
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide (CID 63176470) is N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide is CC(/N=C(\N)C1CC1)c1nn[nH]n1.
What is the InChIKey of N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide?
The InChIKey is ZVOMYRLOXVAITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c1-4(7-10-12-13-11-7)9-6(8)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11,12,13).
What are the key properties of N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide?
N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63176470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).