N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

C7H9F3N6O3 — CID 146314378

IUPACN-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1nn[nH]n1)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N6O.C2HF3O2/c12-4(3-1-6-2-3)7-5-8-10-11-9-5;3-2(4,5)1(6)7/h3,6H,1-2H2,(H2,7,8,9,10,11,12);(H,6,7)
InChIKeyDOHHGNRVGSSRPD-UHFFFAOYSA-N
MW282.18 g/mol
LogP-1.01
Rot. Bonds2

About N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146314378) has the molecular formula C7H9F3N6O3 and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146314378
Molecular FormulaC7H9F3N6O3
Molecular Weight282.18 g/mol
Exact Mass282.07
IUPAC NameN-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1nn[nH]n1)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N6O.C2HF3O2/c12-4(3-1-6-2-3)7-5-8-10-11-9-5;3-2(4,5)1(6)7/h3,6H,1-2H2,(H2,7,8,9,10,11,12);(H,6,7)
InChIKeyDOHHGNRVGSSRPD-UHFFFAOYSA-N
XLogP-1.01
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 146314378) is N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1nn[nH]n1)C1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DOHHGNRVGSSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O.C2HF3O2/c12-4(3-1-6-2-3)7-5-8-10-11-9-5;3-2(4,5)1(6)7/h3,6H,1-2H2,(H2,7,8,9,10,11,12);(H,6,7).
What are the key properties of N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 282.18 g/mol, XLogP of -1.01, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).