N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine

C6H9N7 — CID 164660933

IUPACN-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine
SMILESc1cnn(CCNc2nn[nH]n2)c1
InChIInChI=1S/C6H9N7/c1-2-8-13(4-1)5-3-7-6-9-11-12-10-6/h1-2,4H,3,5H2,(H2,7,9,10,11,12)
InChIKeyFQSBSONXSGEXOB-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.49
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine

N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine (PubChem CID 164660933) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine
PubChem CID164660933
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine
SMILESc1cnn(CCNc2nn[nH]n2)c1
InChIInChI=1S/C6H9N7/c1-2-8-13(4-1)5-3-7-6-9-11-12-10-6/h1-2,4H,3,5H2,(H2,7,9,10,11,12)
InChIKeyFQSBSONXSGEXOB-UHFFFAOYSA-N
XLogP-0.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine (CID 164660933) is N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine is c1cnn(CCNc2nn[nH]n2)c1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine?
The InChIKey is FQSBSONXSGEXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-2-8-13(4-1)5-3-7-6-9-11-12-10-6/h1-2,4H,3,5H2,(H2,7,9,10,11,12).
What are the key properties of N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine?
N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine has a molecular weight of 179.19 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164660933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).