2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid

C8H13N9O2 — CID 139677736

IUPAC2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid
SMILESCCN(CC)n1nnnc1-c1nnnn1CC(=O)O
InChIInChI=1S/C8H13N9O2/c1-3-15(4-2)17-8(10-12-14-17)7-9-11-13-16(7)5-6(18)19/h3-5H2,1-2H3,(H,18,19)
InChIKeyWSTUBPAOODVPHI-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.61
Rot. Bonds6

About 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid

2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid (PubChem CID 139677736) has the molecular formula C8H13N9O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid
PubChem CID139677736
Molecular FormulaC8H13N9O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid
SMILESCCN(CC)n1nnnc1-c1nnnn1CC(=O)O
InChIInChI=1S/C8H13N9O2/c1-3-15(4-2)17-8(10-12-14-17)7-9-11-13-16(7)5-6(18)19/h3-5H2,1-2H3,(H,18,19)
InChIKeyWSTUBPAOODVPHI-UHFFFAOYSA-N
XLogP-1.61
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid (CID 139677736) is 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid is CCN(CC)n1nnnc1-c1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid?
The InChIKey is WSTUBPAOODVPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N9O2/c1-3-15(4-2)17-8(10-12-14-17)7-9-11-13-16(7)5-6(18)19/h3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid?
2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid has a molecular weight of 267.25 g/mol, XLogP of -1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 139677736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).