N-tert-butyl-2H-tetrazol-5-amine

C5H11N5 — CID 59000169

IUPACN-tert-butyl-2H-tetrazol-5-amine
SMILESCC(C)(C)Nc1nn[nH]n1
InChIInChI=1S/C5H11N5/c1-5(2,3)6-4-7-9-10-8-4/h1-3H3,(H2,6,7,8,9,10)
InChIKeyADYREOHMRCGPGT-UHFFFAOYSA-N
MW141.18 g/mol
LogP0.41
Rot. Bonds1

About N-tert-butyl-2H-tetrazol-5-amine

N-tert-butyl-2H-tetrazol-5-amine (PubChem CID 59000169) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is N-tert-butyl-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-2H-tetrazol-5-amine
PubChem CID59000169
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC NameN-tert-butyl-2H-tetrazol-5-amine
SMILESCC(C)(C)Nc1nn[nH]n1
InChIInChI=1S/C5H11N5/c1-5(2,3)6-4-7-9-10-8-4/h1-3H3,(H2,6,7,8,9,10)
InChIKeyADYREOHMRCGPGT-UHFFFAOYSA-N
XLogP0.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2H-tetrazol-5-amine?
The IUPAC name of N-tert-butyl-2H-tetrazol-5-amine (CID 59000169) is N-tert-butyl-2H-tetrazol-5-amine.
What is the SMILES notation for N-tert-butyl-2H-tetrazol-5-amine?
The canonical SMILES for N-tert-butyl-2H-tetrazol-5-amine is CC(C)(C)Nc1nn[nH]n1.
What is the InChIKey of N-tert-butyl-2H-tetrazol-5-amine?
The InChIKey is ADYREOHMRCGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-5(2,3)6-4-7-9-10-8-4/h1-3H3,(H2,6,7,8,9,10).
What are the key properties of N-tert-butyl-2H-tetrazol-5-amine?
N-tert-butyl-2H-tetrazol-5-amine has a molecular weight of 141.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2H-tetrazol-5-amine is sourced from PubChem (CID 59000169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).