N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine

C7H13N5 — CID 164660940

IUPACN-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine
SMILESCC(C)(Nc1nn[nH]n1)C1CC1
InChIInChI=1S/C7H13N5/c1-7(2,5-3-4-5)8-6-9-11-12-10-6/h5H,3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyBWHVCPQJBOBNKP-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.80
Rot. Bonds3

About N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine

N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine (PubChem CID 164660940) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine
PubChem CID164660940
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine
SMILESCC(C)(Nc1nn[nH]n1)C1CC1
InChIInChI=1S/C7H13N5/c1-7(2,5-3-4-5)8-6-9-11-12-10-6/h5H,3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyBWHVCPQJBOBNKP-UHFFFAOYSA-N
XLogP0.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine (CID 164660940) is N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine is CC(C)(Nc1nn[nH]n1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine?
The InChIKey is BWHVCPQJBOBNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-7(2,5-3-4-5)8-6-9-11-12-10-6/h5H,3-4H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine?
N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine has a molecular weight of 167.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164660940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).