5-(tetrazol-1-yl)pentanoic acid;hydrochloride

C6H11ClN4O2 — CID 70410135

IUPAC5-(tetrazol-1-yl)pentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCn1cnnn1
InChIInChI=1S/C6H10N4O2.ClH/c11-6(12)3-1-2-4-10-5-7-8-9-10;/h5H,1-4H2,(H,11,12);1H
InChIKeyZNXCLDVHPMITCB-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.35
Rot. Bonds5

About 5-(tetrazol-1-yl)pentanoic acid;hydrochloride

5-(tetrazol-1-yl)pentanoic acid;hydrochloride (PubChem CID 70410135) has the molecular formula C6H11ClN4O2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-(tetrazol-1-yl)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(tetrazol-1-yl)pentanoic acid;hydrochloride
PubChem CID70410135
Molecular FormulaC6H11ClN4O2
Molecular Weight206.63 g/mol
Exact Mass206.06
IUPAC Name5-(tetrazol-1-yl)pentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCn1cnnn1
InChIInChI=1S/C6H10N4O2.ClH/c11-6(12)3-1-2-4-10-5-7-8-9-10;/h5H,1-4H2,(H,11,12);1H
InChIKeyZNXCLDVHPMITCB-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1H-Tetrazol-1-yl)butanoic acid
CID 22996543
5-(5-Methyltetrazol-1-yl)pentanoic acid
CID 13103365
6-(1H-tetrazol-1-yl)hexanoic acid
CID 21280275
5-(1H-Tetrazol-1-yl)pentanoic acid
CID 21280290
5-(1h-1,2,4-Triazol-1-yl)pentanoic acid
CID 21284758
(5-Tetrazol-1-yl)-valeric acid ethyl ester
CID 53833799
5-Chloro-5-(tetrazol-1-yl)pentanoic acid
CID 57506905
(2R)-2-amino-5-(tetrazol-1-yl)pentanoic acid
CID 58543278
2-amino-5-(1H-1,2,3,4-tetrazol-1-yl)pentanoic acid
CID 67379465
4-(Tetrazol-1-yl)butanoic acid;hydrochloride
CID 70410058
5-Sulfanyl-5-(tetrazol-1-yl)pentanoic acid
CID 88643472
5-(1,2,4-Triazol-4-yl)pentanoic acid
CID 64058765

Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-yl)pentanoic acid;hydrochloride?
The IUPAC name of 5-(tetrazol-1-yl)pentanoic acid;hydrochloride (CID 70410135) is 5-(tetrazol-1-yl)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-(tetrazol-1-yl)pentanoic acid;hydrochloride?
The canonical SMILES for 5-(tetrazol-1-yl)pentanoic acid;hydrochloride is Cl.O=C(O)CCCCn1cnnn1.
What is the InChIKey of 5-(tetrazol-1-yl)pentanoic acid;hydrochloride?
The InChIKey is ZNXCLDVHPMITCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2.ClH/c11-6(12)3-1-2-4-10-5-7-8-9-10;/h5H,1-4H2,(H,11,12);1H.
What are the key properties of 5-(tetrazol-1-yl)pentanoic acid;hydrochloride?
5-(tetrazol-1-yl)pentanoic acid;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-yl)pentanoic acid;hydrochloride is sourced from PubChem (CID 70410135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).