2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid

C9H13N9O2 — CID 139677829

IUPAC2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1nnnn1C1CCNCC1
InChIInChI=1S/C9H13N9O2/c19-7(20)5-17-8(11-13-15-17)9-12-14-16-18(9)6-1-3-10-4-2-6/h6,10H,1-5H2,(H,19,20)
InChIKeyBEPTXCCIZZJUQU-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.66
Rot. Bonds4

About 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid

2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid (PubChem CID 139677829) has the molecular formula C9H13N9O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid
PubChem CID139677829
Molecular FormulaC9H13N9O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1nnnn1C1CCNCC1
InChIInChI=1S/C9H13N9O2/c19-7(20)5-17-8(11-13-15-17)9-12-14-16-18(9)6-1-3-10-4-2-6/h6,10H,1-5H2,(H,19,20)
InChIKeyBEPTXCCIZZJUQU-UHFFFAOYSA-N
XLogP-1.66
TPSA136.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid
CID 139677736
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
CID 66042566
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid
CID 136812872
2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid
CID 81326963
2-[5-(3,4,5-trifluorophenyl)tetrazol-1-yl]acetic acid
CID 66040770
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
CID 115035957
2-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427362
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid (CID 139677829) is 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1nnnn1C1CCNCC1.
What is the InChIKey of 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid?
The InChIKey is BEPTXCCIZZJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9O2/c19-7(20)5-17-8(11-13-15-17)9-12-14-16-18(9)6-1-3-10-4-2-6/h6,10H,1-5H2,(H,19,20).
What are the key properties of 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid?
2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid has a molecular weight of 279.26 g/mol, XLogP of -1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-piperidin-4-yltetrazol-5-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 139677829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).