2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine

C9H11N7 — CID 54555795

IUPAC2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine
SMILESCn1nnnc1-c1cccc(N=C(N)N)c1
InChIInChI=1S/C9H11N7/c1-16-8(13-14-15-16)6-3-2-4-7(5-6)12-9(10)11/h2-5H,1H3,(H4,10,11,12)
InChIKeyZNBQZEWECXEKEE-UHFFFAOYSA-N
MW217.24 g/mol
LogP-0.22
Rot. Bonds2

About 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine

2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine (PubChem CID 54555795) has the molecular formula C9H11N7 and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine
PubChem CID54555795
Molecular FormulaC9H11N7
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine
SMILESCn1nnnc1-c1cccc(N=C(N)N)c1
InChIInChI=1S/C9H11N7/c1-16-8(13-14-15-16)6-3-2-4-7(5-6)12-9(10)11/h2-5H,1H3,(H4,10,11,12)
InChIKeyZNBQZEWECXEKEE-UHFFFAOYSA-N
XLogP-0.22
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

CID 2794785
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CID 6484188
CID 6484188
CID 140752
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CID 599521
CID 599521
CID 16409834
CID 16409834
CID 3031869
CID 3031869
CID 22259018
CID 22259018
CID 14442127
CID 14442127
CID 3031870
CID 3031870
CID 28818926
CID 28818926
CID 14457675
CID 14457675
CID 75427169
CID 75427169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine?
The IUPAC name of 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine (CID 54555795) is 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine.
What is the SMILES notation for 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine?
The canonical SMILES for 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine is Cn1nnnc1-c1cccc(N=C(N)N)c1.
What is the InChIKey of 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine?
The InChIKey is ZNBQZEWECXEKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7/c1-16-8(13-14-15-16)6-3-2-4-7(5-6)12-9(10)11/h2-5H,1H3,(H4,10,11,12).
What are the key properties of 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine?
2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine has a molecular weight of 217.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyltetrazol-5-yl)phenyl]guanidine is sourced from PubChem (CID 54555795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).