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

C7H15N7 — CID 62361581

IUPAC1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1nn[nH]n1
InChIInChI=1S/C7H15N7/c1-5(2)3-9-7(8)10-4-6-11-13-14-12-6/h5H,3-4H2,1-2H3,(H3,8,9,10)(H,11,12,13,14)
InChIKeyIQDQHBXJTROHFC-UHFFFAOYSA-N
MW197.25 g/mol
LogP-0.74
Rot. Bonds4

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

1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine (PubChem CID 62361581) has the molecular formula C7H15N7 and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine
PubChem CID62361581
Molecular FormulaC7H15N7
Molecular Weight197.25 g/mol
Exact Mass197.14
IUPAC Name1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1nn[nH]n1
InChIInChI=1S/C7H15N7/c1-5(2)3-9-7(8)10-4-6-11-13-14-12-6/h5H,3-4H2,1-2H3,(H3,8,9,10)(H,11,12,13,14)
InChIKeyIQDQHBXJTROHFC-UHFFFAOYSA-N
XLogP-0.74
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-0.74
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 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine (CID 62361581) is 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine is CC(C)CN/C(N)=N/Cc1nn[nH]n1.
What is the InChIKey of 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine?
The InChIKey is IQDQHBXJTROHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N7/c1-5(2)3-9-7(8)10-4-6-11-13-14-12-6/h5H,3-4H2,1-2H3,(H3,8,9,10)(H,11,12,13,14).
What are the key properties of 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine?
1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine has a molecular weight of 197.25 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(2H-tetrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 62361581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).