N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine

C6H9N7 — CID 164653293

IUPACN-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine
SMILESCCn1ccc(Nc2nn[nH]n2)n1
InChIInChI=1S/C6H9N7/c1-2-13-4-3-5(10-13)7-6-8-11-12-9-6/h3-4H,2H2,1H3,(H2,7,8,9,10,11,12)
InChIKeyZDOMVELNDXYXMX-UHFFFAOYSA-N
MW179.19 g/mol
LogP0.16
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine

N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine (PubChem CID 164653293) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine
PubChem CID164653293
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine
SMILESCCn1ccc(Nc2nn[nH]n2)n1
InChIInChI=1S/C6H9N7/c1-2-13-4-3-5(10-13)7-6-8-11-12-9-6/h3-4H,2H2,1H3,(H2,7,8,9,10,11,12)
InChIKeyZDOMVELNDXYXMX-UHFFFAOYSA-N
XLogP0.16
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine (CID 164653293) is N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine is CCn1ccc(Nc2nn[nH]n2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine?
The InChIKey is ZDOMVELNDXYXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-2-13-4-3-5(10-13)7-6-8-11-12-9-6/h3-4H,2H2,1H3,(H2,7,8,9,10,11,12).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine?
N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine has a molecular weight of 179.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164653293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).