1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine

C6H13N7 — CID 62361360

IUPAC1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESCC(C)N/C(N)=N/Cc1nn[nH]n1
InChIInChI=1S/C6H13N7/c1-4(2)9-6(7)8-3-5-10-12-13-11-5/h4H,3H2,1-2H3,(H3,7,8,9)(H,10,11,12,13)
InChIKeyIUNDWGPZHPLNKM-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.99
Rot. Bonds3

About 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine

1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine (PubChem CID 62361360) has the molecular formula C6H13N7 and a molecular weight of 183.22 g/mol. Its IUPAC name is 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine
PubChem CID62361360
Molecular FormulaC6H13N7
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESCC(C)N/C(N)=N/Cc1nn[nH]n1
InChIInChI=1S/C6H13N7/c1-4(2)9-6(7)8-3-5-10-12-13-11-5/h4H,3H2,1-2H3,(H3,7,8,9)(H,10,11,12,13)
InChIKeyIUNDWGPZHPLNKM-UHFFFAOYSA-N
XLogP-0.99
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.99
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-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine (CID 62361360) is 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine is CC(C)N/C(N)=N/Cc1nn[nH]n1.
What is the InChIKey of 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The InChIKey is IUNDWGPZHPLNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7/c1-4(2)9-6(7)8-3-5-10-12-13-11-5/h4H,3H2,1-2H3,(H3,7,8,9)(H,10,11,12,13).
What are the key properties of 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine?
1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine has a molecular weight of 183.22 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 62361360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).