N,1-diethyltetrazol-5-amine;hydrochloride

C5H12ClN5 — CID 3031928

IUPACN,1-diethyltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1CC.Cl
InChIInChI=1S/C5H11N5.ClH/c1-3-6-5-7-8-9-10(5)4-2;/h3-4H2,1-2H3,(H,6,7,9);1H
InChIKeyNKSQZZXDEGJHNM-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.55
Rot. Bonds3

About N,1-diethyltetrazol-5-amine;hydrochloride

N,1-diethyltetrazol-5-amine;hydrochloride (PubChem CID 3031928) has the molecular formula C5H12ClN5 and a molecular weight of 177.64 g/mol. Its IUPAC name is N,1-diethyltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN,1-diethyltetrazol-5-amine;hydrochloride
PubChem CID3031928
Molecular FormulaC5H12ClN5
Molecular Weight177.64 g/mol
Exact Mass177.08
IUPAC NameN,1-diethyltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1CC.Cl
InChIInChI=1S/C5H11N5.ClH/c1-3-6-5-7-8-9-10(5)4-2;/h3-4H2,1-2H3,(H,6,7,9);1H
InChIKeyNKSQZZXDEGJHNM-UHFFFAOYSA-N
XLogP0.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyltetrazol-5-amine;hydrochloride?
The IUPAC name of N,1-diethyltetrazol-5-amine;hydrochloride (CID 3031928) is N,1-diethyltetrazol-5-amine;hydrochloride.
What is the SMILES notation for N,1-diethyltetrazol-5-amine;hydrochloride?
The canonical SMILES for N,1-diethyltetrazol-5-amine;hydrochloride is CCNc1nnnn1CC.Cl.
What is the InChIKey of N,1-diethyltetrazol-5-amine;hydrochloride?
The InChIKey is NKSQZZXDEGJHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5.ClH/c1-3-6-5-7-8-9-10(5)4-2;/h3-4H2,1-2H3,(H,6,7,9);1H.
What are the key properties of N,1-diethyltetrazol-5-amine;hydrochloride?
N,1-diethyltetrazol-5-amine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).