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

C9H11N7 — CID 62369554

IUPAC1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESN/C(=N\Cc1nn[nH]n1)Nc1ccccc1
InChIInChI=1S/C9H11N7/c10-9(11-6-8-13-15-16-14-8)12-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12)(H,13,14,15,16)
InChIKeyAMCCSBIZGBQVQN-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.13
Rot. Bonds3

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

1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine (PubChem CID 62369554) has the molecular formula C9H11N7 and a molecular weight of 217.24 g/mol. Its IUPAC name is 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine
PubChem CID62369554
Molecular FormulaC9H11N7
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESN/C(=N\Cc1nn[nH]n1)Nc1ccccc1
InChIInChI=1S/C9H11N7/c10-9(11-6-8-13-15-16-14-8)12-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12)(H,13,14,15,16)
InChIKeyAMCCSBIZGBQVQN-UHFFFAOYSA-N
XLogP0.13
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.13
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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Related Compounds

2-benzyl-1-phenylguanidine
CID 12910062
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 62361360
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 19866588
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
CID 78989909

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine (CID 62369554) is 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine is N/C(=N\Cc1nn[nH]n1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The InChIKey is AMCCSBIZGBQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7/c10-9(11-6-8-13-15-16-14-8)12-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12)(H,13,14,15,16).
What are the key properties of 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine has a molecular weight of 217.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 62369554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).