1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine

C8H17N7 — CID 120603258

IUPAC1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
SMILESCC(C)CN/C(N)=N/Cc1nnn(C)n1
InChIInChI=1S/C8H17N7/c1-6(2)4-10-8(9)11-5-7-12-14-15(3)13-7/h6H,4-5H2,1-3H3,(H3,9,10,11)
InChIKeyWHNSPAGNRYOREF-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.73
Rot. Bonds4

About 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine

1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine (PubChem CID 120603258) has the molecular formula C8H17N7 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
PubChem CID120603258
Molecular FormulaC8H17N7
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
SMILESCC(C)CN/C(N)=N/Cc1nnn(C)n1
InChIInChI=1S/C8H17N7/c1-6(2)4-10-8(9)11-5-7-12-14-15(3)13-7/h6H,4-5H2,1-3H3,(H3,9,10,11)
InChIKeyWHNSPAGNRYOREF-UHFFFAOYSA-N
XLogP-0.73
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.73
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine (CID 120603258) is 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine is CC(C)CN/C(N)=N/Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
The InChIKey is WHNSPAGNRYOREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7/c1-6(2)4-10-8(9)11-5-7-12-14-15(3)13-7/h6H,4-5H2,1-3H3,(H3,9,10,11).
What are the key properties of 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine has a molecular weight of 211.27 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine is sourced from PubChem (CID 120603258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).