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

C6H12N6 — CID 63176410

IUPACN'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide
SMILESCC/C(N)=N\C(C)c1nn[nH]n1
InChIInChI=1S/C6H12N6/c1-3-5(7)8-4(2)6-9-11-12-10-6/h4H,3H2,1-2H3,(H2,7,8)(H,9,10,11,12)
InChIKeyYQQMJLGULAGQKM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.03
Rot. Bonds3

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

N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide (PubChem CID 63176410) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide.

Molecular Properties

Compound NameN'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide
PubChem CID63176410
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC NameN'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide
SMILESCC/C(N)=N\C(C)c1nn[nH]n1
InChIInChI=1S/C6H12N6/c1-3-5(7)8-4(2)6-9-11-12-10-6/h4H,3H2,1-2H3,(H2,7,8)(H,9,10,11,12)
InChIKeyYQQMJLGULAGQKM-UHFFFAOYSA-N
XLogP0.03
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
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]propanimidamide?
The IUPAC name of N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide (CID 63176410) is N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide.
What is the SMILES notation for N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide?
The canonical SMILES for N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide is CC/C(N)=N\C(C)c1nn[nH]n1.
What is the InChIKey of N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide?
The InChIKey is YQQMJLGULAGQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c1-3-5(7)8-4(2)6-9-11-12-10-6/h4H,3H2,1-2H3,(H2,7,8)(H,9,10,11,12).
What are the key properties of N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide?
N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide has a molecular weight of 168.20 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]propanimidamide is sourced from PubChem (CID 63176410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).