1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride

C9H18ClN5 — CID 3031885

IUPAC1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C9H17N5.ClH/c1-2-10-9-11-12-13-14(9)8-6-4-3-5-7-8;/h8H,2-7H2,1H3,(H,10,11,13);1H
InChIKeyNHYZDVMJJRIXDX-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.03
Rot. Bonds3

About 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride

1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride (PubChem CID 3031885) has the molecular formula C9H18ClN5 and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride
PubChem CID3031885
Molecular FormulaC9H18ClN5
Molecular Weight231.73 g/mol
Exact Mass231.13
IUPAC Name1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C9H17N5.ClH/c1-2-10-9-11-12-13-14(9)8-6-4-3-5-7-8;/h8H,2-7H2,1H3,(H,10,11,13);1H
InChIKeyNHYZDVMJJRIXDX-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride?
The IUPAC name of 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride (CID 3031885) is 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride is CCNc1nnnn1C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride?
The InChIKey is NHYZDVMJJRIXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5.ClH/c1-2-10-9-11-12-13-14(9)8-6-4-3-5-7-8;/h8H,2-7H2,1H3,(H,10,11,13);1H.
What are the key properties of 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride?
1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride has a molecular weight of 231.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).