tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium

C7H16N5+ — CID 140694709

IUPACtert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium
SMILESCn1nnnc1C[NH2+]C(C)(C)C
InChIInChI=1S/C7H15N5/c1-7(2,3)8-5-6-9-10-11-12(6)4/h8H,5H2,1-4H3/p+1
InChIKeyLZZFBJTVCXZFCX-UHFFFAOYSA-O
MW170.24 g/mol
LogP-0.93
Rot. Bonds2

About tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium

tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium (PubChem CID 140694709) has the molecular formula C7H16N5+ and a molecular weight of 170.24 g/mol. Its IUPAC name is tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium.

Molecular Properties

Compound Nametert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium
PubChem CID140694709
Molecular FormulaC7H16N5+
Molecular Weight170.24 g/mol
Exact Mass170.14
IUPAC Nametert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium
SMILESCn1nnnc1C[NH2+]C(C)(C)C
InChIInChI=1S/C7H15N5/c1-7(2,3)8-5-6-9-10-11-12(6)4/h8H,5H2,1-4H3/p+1
InChIKeyLZZFBJTVCXZFCX-UHFFFAOYSA-O
XLogP-0.93
TPSA60.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium?
The IUPAC name of tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium (CID 140694709) is tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium.
What is the SMILES notation for tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium?
The canonical SMILES for tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium is Cn1nnnc1C[NH2+]C(C)(C)C.
What is the InChIKey of tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium?
The InChIKey is LZZFBJTVCXZFCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N5/c1-7(2,3)8-5-6-9-10-11-12(6)4/h8H,5H2,1-4H3/p+1.
What are the key properties of tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium?
tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium has a molecular weight of 170.24 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1-methyltetrazol-5-yl)methyl]azanium is sourced from PubChem (CID 140694709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).