2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine

C4H9N7 — CID 62360090

IUPAC2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine
SMILESC/N=C(\N)NCc1nn[nH]n1
InChIInChI=1S/C4H9N7/c1-6-4(5)7-2-3-8-10-11-9-3/h2H2,1H3,(H3,5,6,7)(H,8,9,10,11)
InChIKeySAFYRHFAPJVMOS-UHFFFAOYSA-N
MW155.17 g/mol
LogP-1.77
Rot. Bonds2

About 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine

2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine (PubChem CID 62360090) has the molecular formula C4H9N7 and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine
PubChem CID62360090
Molecular FormulaC4H9N7
Molecular Weight155.17 g/mol
Exact Mass155.09
IUPAC Name2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine
SMILESC/N=C(\N)NCc1nn[nH]n1
InChIInChI=1S/C4H9N7/c1-6-4(5)7-2-3-8-10-11-9-3/h2H2,1H3,(H3,5,6,7)(H,8,9,10,11)
InChIKeySAFYRHFAPJVMOS-UHFFFAOYSA-N
XLogP-1.77
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-1.77
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-(2H-tetrazol-5-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine (CID 62360090) is 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine is C/N=C(\N)NCc1nn[nH]n1.
What is the InChIKey of 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine?
The InChIKey is SAFYRHFAPJVMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N7/c1-6-4(5)7-2-3-8-10-11-9-3/h2H2,1H3,(H3,5,6,7)(H,8,9,10,11).
What are the key properties of 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine?
2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine has a molecular weight of 155.17 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-tetrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 62360090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).