2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine

C5H11N7 — CID 62359720

IUPAC2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine
SMILESC/N=C(\N)NC(C)c1nn[nH]n1
InChIInChI=1S/C5H11N7/c1-3(8-5(6)7-2)4-9-11-12-10-4/h3H,1-2H3,(H3,6,7,8)(H,9,10,11,12)
InChIKeyZNXONGALKAVVBA-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.21
Rot. Bonds2

About 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine

2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine (PubChem CID 62359720) has the molecular formula C5H11N7 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine
PubChem CID62359720
Molecular FormulaC5H11N7
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine
SMILESC/N=C(\N)NC(C)c1nn[nH]n1
InChIInChI=1S/C5H11N7/c1-3(8-5(6)7-2)4-9-11-12-10-4/h3H,1-2H3,(H3,6,7,8)(H,9,10,11,12)
InChIKeyZNXONGALKAVVBA-UHFFFAOYSA-N
XLogP-1.21
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
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 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine (CID 62359720) is 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine is C/N=C(\N)NC(C)c1nn[nH]n1.
What is the InChIKey of 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The InChIKey is ZNXONGALKAVVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7/c1-3(8-5(6)7-2)4-9-11-12-10-4/h3H,1-2H3,(H3,6,7,8)(H,9,10,11,12).
What are the key properties of 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine has a molecular weight of 169.19 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 62359720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).